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2023-11-16 00:00:00
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2023-11-16 00:00:00
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a03a18cb6faf7f5be3020f5c35c53639_74_Li2Ni4O8
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A4B2C
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LiNi2O4
|
Li2 Ni4 O8
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agm003215340
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2023-11-16 00:00:00
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3a51715ac326269a1964b9d46d9edbd9_74_Li2Ni4O8
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A3B3C
|
Li3S3Sb
|
Li6 Sb2 S6
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1,
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1
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agm003215342
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2023-11-16 00:00:00
|
[
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pbe
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406c47fe89d5bd4f35c646af0ebc2217_148_Li6Sb2S6
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A4B2C
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Li2O4S
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Li4 S2 O8
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agm003215343
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|
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2023-11-16 00:00:00
|
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pbe
| true |
3f8f04a97294786dca616f44bec7f6dd_63_Li4S2O8
| 63 |
[
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A4B2C
|
LiS4Ti2
|
Li2 Ti4 S8
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1,
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agm003215344
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2023-11-16 00:00:00
|
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17c348596315189b6b8119dbe50e96ae_227_Li2Ti4S8
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A8B3C2D
|
Li2O8SnV3
|
Li2 V3 Sn O8
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agm003215345
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2023-11-16 00:00:00
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31f5c05abe5ce40d25aebc39049ce079_166_Li2V3Sn1O8
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A8B3C2D
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Li2O8SnV3
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Li2 V3 Sn O8
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agm003215346
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2023-11-16 00:00:00
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9ced495ebc92ce68023f27753ec0afd1_160_Li2V3Sn1O8
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A8B3C2D
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Li2Mn3NiO8
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Li2 Mn3 Ni O8
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agm003215347
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2023-11-16 00:00:00
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52c656f73cb55f7b6274b8f19a4d4b00_12_Li2Mn3Ni1O8
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A8B3C2D
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Li2Mn3NiO8
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Li2 Mn3 Ni O8
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agm003215348
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2023-11-16 00:00:00
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pbe
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eebf297c41fade5c36c330639ebd5086_160_Li2Mn3Ni1O8
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LiO4PV
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Li2 V2 P2 O8
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agm003215349
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2023-11-16 00:00:00
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pbe
| true |
dcdd4b1b5f73aa3a7bfb84074e450479_43_Li2V2P2O8
| 43 |
[
"Li",
"O",
"Ti",
"Zn"
] | 14 |
A8B3C2D
|
Li2O8Ti3Zn
|
Li2 Ti3 Zn O8
| 4 |
[
1,
1,
1
] | 3 |
[
[
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agm003215350
|
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
32248ae2cc9f375d898968e9c47a1e6b_160_Li2Ti3Zn1O8
| 160 |
[
"Li",
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"Ti"
] | 14 |
A8B3C2D
|
Li2MgO8Ti3
|
Li2 Mg Ti3 O8
| 4 |
[
1,
1,
1
] | 3 |
[
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agm003215351
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
81cf13f32664f5fc559da477f826efbb_160_Li2Mg1Ti3O8
| 160 |
[
"Li",
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] | 14 |
A4BCD
|
LiMnO4V
|
Li2 Mn2 V2 O8
| 4 |
[
1,
1,
1
] | 3 |
[
[
5.92045571,
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agm003215352
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
d2c4a2764eea34cef7a0020ef2152c15_74_Li2Mn2V2O8
| 74 |
[
"Lu",
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] | 14 |
A4B2C
|
Lu2O4Sr
|
Sr2 Lu4 O8
| 3 |
[
1,
1,
1
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[
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agm003215353
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|
[
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2023-11-16 00:00:00
|
[
0.2857142857142857,
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pbe
| true |
98a33990f5d9f5ecc71c84552f8c7569_63_Sr2Lu4O8
| 63 |
[
"Mg",
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] | 14 |
A4B2C
|
MgMn2O4
|
Mg2 Mn4 O8
| 3 |
[
1,
1,
1
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[
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3.08781576,
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agm003215354
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1.5465693241321459,
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Mg",
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"Mn",
"Mn",
"Mn",
"Mn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
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0.5714285714285714
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[
[
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pbe
| true |
9f62e748353b38d365097e954f158999_4_Mg2Mn4O8
| 4 |
[
"Mg",
"Mn",
"O"
] | 14 |
A4B2C
|
MgMn2O4
|
Mg2 Mn4 O8
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.05646178,
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agm003215356
|
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Mg",
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"Mn",
"Mn",
"Mn",
"Mn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
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0.5714285714285714
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[
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5.06,
5.009,
5.06,
5.009,
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] | 0.508915 |
pbe
| true |
eb9657ae864113d4ae6a5c47919b6513_74_Mg2Mn4O8
| 15 |
[
"Mg",
"O",
"V"
] | 14 |
A4B2C
|
MgO4V2
|
Mg2 V4 O8
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.03563943,
0,
0
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3.01781971,
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agm003215357
|
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[
7.658339616512814,
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] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Mg",
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"V",
"V",
"V",
"V",
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"O",
"O",
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] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
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[
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0,
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0
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[
0,
0,
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[
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[
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5.067,
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5.067,
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] | 5.677892 |
pbe
| true |
a3d4641fa83959191dfc79f08a0eed38_227_Mg2V4O8
| 227 |
[
"Mg",
"O",
"Sn"
] | 14 |
A4B2C
|
Mg2O4Sn
|
Mg4 Sn2 O8
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.11130778,
0,
0
],
[
0,
5.21420648,
0
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[
0,
0,
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] |
agm003215358
|
[
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[
0,
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] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Mg",
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"Sn",
"Sn",
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"O",
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"O",
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] |
2023-11-16 00:00:00
|
[
0.2857142857142857,
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0.14285714285714285
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[
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[
0,
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] | -85.334522 | -90.95284 |
[
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0,
0,
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[
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[
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[
0,
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[
0,
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] | 0 |
[
6.255,
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12.322,
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5.048,
5.06,
5.06,
5.048,
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5.06,
5.048
] | 0 |
pbe
| true |
97b597035819a8bc502bf4e89995f588_55_Mg4Sn2O8
| 55 |
[
"Mn",
"Zn"
] | 14 |
A13B
|
MnZn13
|
Mn Zn13
| 2 |
[
1,
1,
1
] | 3 |
[
[
6.70077219,
0.36961885,
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[
2.50478477,
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agm003215359
|
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[
0.477412735,
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] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Mn",
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"Zn",
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"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.07142857142857142,
0.9285714285714286
] |
[
[
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[
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[
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] | -24.828027 | -24.828026 |
[
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[
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[
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[
0,
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] | 3.382268 |
[
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10.734,
10.734,
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10.793,
10.793,
10.83
] | 3.983058 |
pbe
| true |
c2f855f85f6c5ded538e9edfc988f34a_12_Mn1Zn13
| 12 |
[
"Mn",
"Na",
"O"
] | 14 |
A3B2C2
|
Mn2Na2O3
|
Na4 Mn4 O6
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.18662875,
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[
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4.5e-7
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[
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] |
agm003215360
|
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|
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2023-11-16 00:00:00
|
[
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8097a60989153e1681f4a91f2bccf7c5_14_Na4Mn4O6
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[
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A3B3C
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Mo3Se3Tl
|
Tl2 Mo6 Se6
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1,
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agm003215361
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
a78ea918ea562550026ace5b3c36f8e8_176_Tl2Mo6Se6
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[
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A3B3C
|
Mo3NaTe3
|
Na2 Te6 Mo6
| 3 |
[
1,
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1
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agm003215362
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
68a9ddc903d824513aaaff8abcf2ce99_176_Na2Te6Mo6
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[
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A4B3
|
N4Si3
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Si6 N8
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agm003215363
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|
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2023-11-16 00:00:00
|
[
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pbe
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e205bea29f78006d6494de40708a8d78_220_Si6N8
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A4B2C
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Al2EuSe4
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Eu2 Al4 Se8
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agm003215364
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2023-11-16 00:00:00
|
[
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pbe
| true |
0ea3bdd1a2d5f42764d844d02bc28758_66_Eu2Al4Se8
| 66 |
[
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A3B2C2
|
Na2S3Zn2
|
Na4 Zn4 S6
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1,
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1
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[
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agm003215365
|
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[
3.56673035,
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3.08332633
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
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"Zn",
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"Zn",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 00:00:00
|
[
0.2857142857142857,
0.42857142857142855,
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[
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10.749,
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3.737,
3.737,
3.737,
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pbe
| true |
83c923e60b2c49759180fd32cc726a7b_14_Na4Zn4S6
| 14 |
[
"C",
"N",
"O",
"Y"
] | 14 |
A2B2C2D
|
CN2O2Y2
|
Y4 C2 N4 O4
| 4 |
[
1,
1,
1
] | 3 |
[
[
3.74151774,
0,
0
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[
-1.87075902,
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0,
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agm003215366
|
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[
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["N"]}]
|
[
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"N",
"N",
"O",
"O",
"O",
"O",
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"Y",
"Y",
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2023-11-16 00:00:00
|
[
0.14285714285714285,
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0.2857142857142857,
0.2857142857142857
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[
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0
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[
0,
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[
0,
0,
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0,
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[
2.69,
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3.879,
3.879,
3.879,
3.879,
5.067,
5.067,
5.067,
5.067,
9.088,
9.088,
9.088,
9.088
] | 0 |
pbe
| true |
84b27d632bddda8a043c0d1068cf603e_194_Y4C2N4O4
| 194 |
[
"Co",
"I",
"Rb"
] | 14 |
A4B2C
|
CoI4Rb2
|
Rb4 Co2 I8
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.23987516,
0,
0
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[
0,
7.9343439,
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[
0,
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agm003215367
|
[
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2.6280489450296156
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[
4.110409647554989,
6.535598362402275,
7.146098304970384
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] |
[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"Rb",
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"Rb",
"Rb",
"Co",
"Co",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
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] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
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[
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0,
0.2114253,
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[
0,
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]
] | -42.819791 | -42.81979 |
[
0,
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2.279,
2.279,
0.087,
0.087,
0.085,
0.085,
0.094,
0.094,
0.094,
0.094
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[
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0,
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0,
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0,
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0,
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[
0.00058974,
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[
0.00058974,
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] | 6.000508 |
[
7.301,
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7.297,
7.86,
7.86,
4.319,
4.319,
4.323,
4.323,
4.326,
4.326,
4.326,
4.326
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pbe
| true |
87189852af5cbde3e1f02b93ae911b20_11_Rb4Co2I8
| 11 |
[
"Cs",
"H",
"Pt"
] | 14 |
A4B2C
|
Cs2H4Pt
|
Cs4 H8 Pt2
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.1678931,
0,
0
],
[
0,
6.1678931,
0
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[
0,
0,
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agm003215368
|
[
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0
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[
3.08394655,
3.08394655,
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[
0,
0,
0
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
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"Cs",
"Cs",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] |
[
[
5.3182974,
0,
0
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[
0,
5.3182974,
0
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[
0,
0,
4.505239
]
] | -48.225353 | -48.225353 |
[
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0.001,
0.001,
0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0.06,
0.06
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[
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[
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[
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[
0.02519137,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.152113 |
[
6.578,
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0.558,
0.558,
0.558,
0.558,
0.556,
0.556,
0.556,
0.556,
8.978,
8.978
] | 0 |
pbe
| true |
dc64878677a7297d45fc3702ce86f546_136_Cs4H8Pt2
| 136 |
[
"H",
"Pt",
"Rb"
] | 14 |
A4B2C
|
H4PtRb2
|
Rb4 H8 Pt2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.86330194,
0,
0
],
[
0,
5.86330194,
0
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[
0,
0,
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agm003215369
|
[
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0,
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0
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[
2.93165097,
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[
0,
0,
0
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Rb",
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"Rb",
"Rb",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
] |
[
[
5.9827642,
0,
0
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[
0,
5.9827642,
0
],
[
0,
0,
5.8082147
]
] | -48.574695 | -48.574696 |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.058,
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] |
[
[
0,
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0
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[
0,
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0
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[
0,
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0
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[
0,
0,
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[
0,
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[
0.02847547,
0.02847547,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.146805 |
[
7.314,
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7.314,
7.314,
0.559,
0.559,
0.559,
0.559,
0.558,
0.558,
0.558,
0.558,
8.995,
8.995
] | 0 |
pbe
| true |
e564e0a1b55939fe1fb09dfed683dfee_136_Rb4H8Pt2
| 136 |
[
"O",
"V"
] | 14 |
A5B2
|
O5V2
|
V4 O10
| 2 |
[
1,
1,
1
] | 3 |
[
[
6.48544401,
0.00420027,
-0.00881784
],
[
4.76049056,
4.40439908,
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[
1.18003363,
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5.22993639
]
] |
agm003215370
|
[
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3.9136357628643923
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2023-11-16 00:00:00
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2023-11-16 00:00:00
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2023-11-16 00:00:00
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2023-11-16 00:00:00
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2023-11-16 00:00:00
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sb"]}]
|
[
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"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 00:00:00
|
[
0.7142857142857143,
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[
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pbe
| true |
a430b6bd92f52a853a2364ec5d39557e_63_Sb4O10
| 63 |
[
"K",
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] | 14 |
A4B2C
|
K2MoO4
|
K4 Mo2 O8
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.99715788,
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agm003215376
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|
[
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"O",
"O",
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2023-11-16 00:00:00
|
[
0.2857142857142857,
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[
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pbe
| true |
e9752219c77d9ca53a1dd5db9b565cd1_12_K4Mo2O8
| 12 |
[
"Cr",
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] | 14 |
A4B2C
|
CrNa2O4
|
Na4 Cr2 O8
| 3 |
[
1,
1,
1
] | 3 |
[
[
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agm003215377
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|
[
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"Cr",
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2023-11-16 00:00:00
|
[
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[
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pbe
| true |
e7cc83c5cef1a0a84edbd6bf05c738a1_2_Na4Cr2O8
| 2 |
[
"O",
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A4B2C
|
O4Sc2Sr
|
Sr2 Sc4 O8
| 3 |
[
1,
1,
1
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agm003215378
|
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
4c72c447b7e96fd00f2db7c8faaa5ceb_227_Sr2Sc4O8
| 227 |
[
"Ca",
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A4B2C
|
CaCu4P2
|
Ca2 Cu8 P4
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1,
1,
1
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agm003215379
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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
67e215ed5fd6de2d104a3224a0a0b579_136_Ca2Cu8P4
| 136 |
[
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A5BC
|
O5PTa
|
Ta2 P2 O10
| 3 |
[
1,
1,
1
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[
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agm003215380
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2023-11-16 00:00:00
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Co3S4
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Co6 S8
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2023-11-16 00:00:00
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EuGa2S4
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2023-11-16 00:00:00
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O4SiV2
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V4 Si2 O8
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2023-11-16 00:00:00
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S4SrY2
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2023-11-16 00:00:00
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6c4ffea37081203cb3bef56065fde160_122_Sr2Y4S8
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Al2CaSe4
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agm003215386
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2023-11-16 00:00:00
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Ni3Se4
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Ni6 Se8
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2023-11-16 00:00:00
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Cs2O3Pb2
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agm003215388
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2023-11-16 00:00:00
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e8ea8c373902bcbaaa3695dfc586e537_199_Cs4Pb4O6
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Ni2RhS4
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Ni4 Rh2 S8
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agm003215389
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2023-11-16 00:00:00
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ed24e13282777e59d1a97c70acc3b665_74_Ni4Rh2S8
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A4B2C
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Al2CdS4
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Al4 Cd2 S8
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agm003215391
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2023-11-16 00:00:00
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Al2S4Sr
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agm003215392
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2023-11-16 00:00:00
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A4B2C
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Al2S4Zn
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Al4 Zn2 S8
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2023-11-16 00:00:00
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Al2BaSe4
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Ba2 Al4 Se8
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2023-11-16 00:00:00
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pbe
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A4B3
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P4Sr3
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2023-11-16 00:00:00
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pbe
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d0000567d9938bb7d806976182e482af_43_Sr6P8
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CuRh2Se4
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2023-11-16 00:00:00
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BaGa2Se4
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Ba2 Ga4 Se8
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4.148332625730111,
1.3503062785208284,
5.79301562
],
[
3.28802605,
0.001658765,
9.715863897173532
],
[
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2.78341428,
7.663182962826469
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[
1.3724086606485426,
4.591449391776258,
5.79301562
],
[
1.7029446393514571,
0.9786966982237422,
5.79301562
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[
3.154393180370606,
3.6075915362880426,
0
],
[
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1.9625545537119577,
0
],
[
3.28802605,
0.001658765,
1.870167342826468
],
[
-1.7503494,
2.78341428,
3.9228482771735322
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ba",
"Ba",
"Ga",
"Ga",
"Ga",
"Ga",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
] |
[
[
0.943348,
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0
],
[
-0.03672918,
0.897102,
0
],
[
0,
0,
1.1034397
]
] | -59.205073 | -59.205074 |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00066872,
0.00235765,
0
],
[
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0
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[
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0
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[
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[
0,
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[
0,
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0.00104099,
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0
],
[
0,
0,
0.00378165
],
[
0,
0,
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]
] | -0.000001 |
[
7.839,
7.839,
11.655,
11.655,
11.655,
11.655,
3.855,
3.855,
3.858,
3.858,
3.858,
3.858,
3.855,
3.855
] | 0 |
pbe
| true |
e5a63bc456ed0420997e3be44947b987_66_Ba2Ga4Se8
| 66 |
[
"Ga",
"Se",
"Sr"
] | 14 |
A4B2C
|
Ga2Se4Sr
|
Sr2 Ga4 Se8
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.37474947,
0.00222617,
0
],
[
-3.21939915,
5.50208186,
0
],
[
0,
0,
11.12045934
]
] |
agm003215400
|
[
[
1.57767516,
2.752154015,
8.340344505000001
],
[
1.57767516,
2.752154015,
2.780114835
],
[
4.094008205392587,
1.3203570793390513,
5.56022967
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[
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4.1839509506609485,
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0
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[
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0
],
[
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1.0281171139687846,
5.56022967
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4.476190916031215,
5.56022967
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[
3.0941883839054594,
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0
],
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0.06116193609454044,
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0
],
[
3.187374735,
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9.246517931261547
],
[
-1.609699575,
2.75104093,
7.434171078738453
],
[
3.187374735,
0.001113085,
1.873941408738453
],
[
-1.609699575,
2.75104093,
3.686288261261547
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Sr",
"Sr",
"Ga",
"Ga",
"Ga",
"Ga",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] |
[
[
1.1845546,
0.08700958,
0
],
[
0.08700958,
1.286459,
0
],
[
0,
0,
1.2088848
]
] | -58.205994 | -58.205994 |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
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0
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[
0,
0,
0
],
[
0.00134125,
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0
],
[
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0
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0
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[
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0
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0
],
[
0.00152493,
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0
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[
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0
],
[
0.00414023,
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[
0,
0,
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[
0,
0,
-0.00124193
],
[
0,
0,
-0.00124193
],
[
0,
0,
0.00124193
]
] | 0.000001 |
[
7.925,
7.925,
11.658,
11.658,
11.658,
11.658,
3.861,
3.861,
3.861,
3.861,
3.856,
3.856,
3.856,
3.856
] | 0 |
pbe
| true |
ac945a1c460940e1e33d2b02d96bfc7e_66_Sr2Ga4Se8
| 66 |
[
"Ga",
"Sr",
"Te"
] | 14 |
A4B2C
|
Ga2SrTe4
|
Sr2 Ga4 Te8
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.82088324,
0.0007456,
0
],
[
-3.43093173,
5.89518076,
0
],
[
0,
0,
11.89606137
]
] |
agm003215401
|
[
[
1.6949757549999998,
2.94796318,
2.9740153425
],
[
1.6949757549999998,
2.94796318,
8.9220460275
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[
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4.488766938956027,
5.948030685
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[
4.352688030310795,
1.4071594210439728,
5.948030685
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[
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4.469659361849275,
0
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1.4262669981507243,
0
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0
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0
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[
3.2698101610745596,
3.8709475160719222,
5.948030685
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[
0.12014134892544072,
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5.948030685
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[
3.41044162,
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8.016678432844095
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[
-1.715465865,
2.94759038,
9.827413622155905
],
[
3.41044162,
0.0003728,
3.8793829371559054
],
[
-1.715465865,
2.94759038,
2.068647747844095
]
] |
[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Sr",
"Sr",
"Ga",
"Ga",
"Ga",
"Ga",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] |
2023-11-16 00:00:00
|
[
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] |
[
[
0.71273464,
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0
],
[
-0.01525161,
0.69497764,
0
],
[
0,
0,
0.62575305
]
] | -51.080894 | -51.080894 |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
-0.0040302,
0.00064898,
0
],
[
0.0040302,
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0
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0
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0.00258846,
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0
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0
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[
0.00260228,
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0
],
[
-0.00260228,
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0
],
[
0,
0,
0.00113888
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[
0,
0,
-0.00113888
],
[
0,
0,
-0.00113888
],
[
0,
0,
0.00113888
]
] | 0 |
[
7.927,
7.927,
11.605,
11.605,
11.605,
11.605,
3.418,
3.418,
3.418,
3.418,
3.414,
3.414,
3.414,
3.414
] | -0.080306 |
pbe
| true |
ef27e76a60c18eafb2b15a4276bae00c_66_Sr2Ga4Te8
| 66 |
[
"H",
"K",
"Pt"
] | 14 |
A4B2C
|
H4K2Pt
|
K4 H8 Pt2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.57737449,
0,
0
],
[
0,
5.57737449,
0
],
[
0,
0,
8.09073367
]
] |
agm003215402
|
[
[
2.788687245,
0,
2.0226834175
],
[
0,
2.788687245,
2.0226834175
],
[
2.788687245,
0,
6.068050252500001
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[
0,
2.788687245,
6.068050252500001
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[
1.176523221728938,
1.176523221728938,
0
],
[
4.4008512682710625,
4.4008512682710625,
0
],
[
0,
0,
1.663050872219857
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[
2.788687245,
2.788687245,
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[
3.965210466728938,
1.6121640232710621,
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[
1.6121640232710621,
3.965210466728938,
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[
2.788687245,
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5.708417707219858
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[
0,
0,
6.427682797780143
],
[
0,
0,
0
],
[
2.788687245,
2.788687245,
4.045366835
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"K",
"K",
"K",
"K",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] |
[
[
7.1729465,
0,
0
],
[
0,
7.1729465,
0
],
[
0,
0,
6.166991
]
] | -49.311772 | -49.31177 |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.055,
0.055
] |
[
[
0,
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0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
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0
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0.02110684,
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0
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0,
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[
0,
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[
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0
],
[
0.02110684,
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0
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[
0,
0,
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],
[
0,
0,
0.03329406
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.137171 |
[
7.569,
7.569,
7.569,
7.569,
0.559,
0.559,
0.561,
0.561,
0.559,
0.559,
0.561,
0.561,
9.012,
9.012
] | 0 |
pbe
| true |
5765e1658cc8691e399bd58af81ae364_136_K4H8Pt2
| 136 |
[
"H",
"Pd",
"Rb"
] | 14 |
A4B2C
|
H4PdRb2
|
Rb4 H8 Pd2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.8613418,
0,
0
],
[
0,
5.8613418,
0
],
[
0,
0,
8.53799391
]
] |
agm003215403
|
[
[
0,
2.9306709,
2.1344984775
],
[
2.9306709,
0,
6.403495432500001
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[
0,
2.9306709,
6.403495432500001
],
[
2.9306709,
0,
2.1344984775
],
[
2.9306709,
2.9306709,
2.605468650785308
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[
0,
0,
6.874465605785309
],
[
2.9306709,
2.9306709,
5.932525259214692
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[
0,
0,
1.6635283042146922
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[
1.7534019362433302,
4.10793986375667,
4.268996955
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[
4.10793986375667,
1.7534019362433302,
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[
1.17726896375667,
1.17726896375667,
0
],
[
4.68407283624333,
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0
],
[
2.9306709,
2.9306709,
4.268996955
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Rb",
"Rb",
"Rb",
"Rb",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Pd",
"Pd"
] |
2023-11-16 00:00:00
|
[
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
] |
[
[
5.3913746,
0,
0
],
[
0,
5.3913746,
0
],
[
0,
0,
4.9900146
]
] | -45.1814 | -45.1814 |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
-0.028,
-0.028
] |
[
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
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[
0,
0,
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[
0,
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[
0,
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[
0,
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[
0.01789006,
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0
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[
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[
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[
0.01789006,
0.01789006,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.073351 |
[
7.312,
7.312,
7.312,
7.312,
0.542,
0.542,
0.542,
0.542,
0.539,
0.539,
0.539,
0.539,
8.738,
8.738
] | 0 |
pbe
| true |
0cb67fe1cbe88c7b845b96c1540d7fe7_136_Rb4H8Pd2
| 136 |
[
"Ba",
"In",
"Te"
] | 14 |
A4B2C
|
BaIn2Te4
|
Ba2 In4 Te8
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.13510361,
0.00562923,
0
],
[
-3.45084322,
6.24511139,
0
],
[
0,
0,
12.4274676
]
] |
agm003215404
|
[
[
1.842130195,
3.12537031,
3.1068669
],
[
1.842130195,
3.12537031,
9.3206007
],
[
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4.782883966149826,
0
],
[
4.625817559622597,
1.4678566538501743,
0
],
[
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4.7579836408308065,
6.2137338
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[
4.640494105626994,
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[
0.23127761462128824,
2.152822726170295,
0
],
[
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0
],
[
1.9128065886365317,
5.0057159391779695,
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[
1.771453801363468,
1.2450246808220302,
6.2137338
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[
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[
3.567551805,
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[
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3.122555695,
8.41880710596642
],
[
3.567551805,
0.002814615,
10.22239429403358
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ba",
"Ba",
"In",
"In",
"In",
"In",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
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pbe
| true |
c81a306254739adbe5ff270bba109a73_66_Ba2In4Te8
| 66 |
[
"Li",
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A4BCD
|
LiMoO4Rb
|
Rb2 Li2 Mo2 O8
| 4 |
[
1,
1,
1
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[
[
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agm003215405
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|
[
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"Mo",
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"O",
"O",
"O",
"O",
"O",
"O",
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2023-11-16 00:00:00
|
[
0.14285714285714285,
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pbe
| true |
7ed5a66ea7188791719200ab74d13dc0_9_Rb2Li2Mo2O8
| 9 |
[
"Al",
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A4B2C
|
Al2MgS4
|
Mg2 Al4 S8
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[
1,
1,
1
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[
[
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agm003215406
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|
[
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2023-11-16 00:00:00
|
[
0.2857142857142857,
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pbe
| true |
840912a07400144c23318a3972daf859_227_Mg2Al4S8
| 1 |
[
"K",
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A4B2C
|
K4P2Zn
|
K8 Zn2 P4
| 3 |
[
1,
1,
1
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[
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agm003215407
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|
[
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2023-11-16 00:00:00
|
[
0.5714285714285714,
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pbe
| true |
529838c0a82c8f3d85483a52cba03a9e_4_K8Zn2P4
| 4 |
[
"Bi",
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A3B2C2
|
Bi2Ni3Se2
|
Ni6 Bi4 Se4
| 3 |
[
1,
1,
1
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[
[
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agm003215408
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|
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2023-11-16 00:00:00
|
[
0.2857142857142857,
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pbe
| true |
abd145c0ca5de17121cd523251f4c0bc_12_Ni6Bi4Se4
| 12 |
[
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A3B2C2
|
K2O3Pb2
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K4 Pb4 O6
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1,
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1
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agm003215409
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2023-11-16 00:00:00
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60bc5ac246e7507f3f9b63c6be008004_199_K4Pb4O6
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A3B2C2
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O3Pb2Rb2
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Rb4 Pb4 O6
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agm003215410
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2023-11-16 00:00:00
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6e4210579ef97059c9f9340254440bae_199_Rb4Pb4O6
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A4B2C
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Ca2O4Sn
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Ca4 Sn2 O8
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agm003215411
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2023-11-16 00:00:00
|
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pbe
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b445f0959d93821a6e5d12bc67930bd0_55_Ca4Sn2O8
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A4B2C
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Bi2CaO4
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Ca2 Bi4 O8
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agm003215412
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|
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2023-11-16 00:00:00
|
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pbe
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a116ba83a4b5624a5249c66554a3a0f0_12_Ca2Bi4O8
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A4B3
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Fe3O4
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Fe6 O8
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agm003215414
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2023-11-16 00:00:00
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pbe
| true |
79ad56632ddccf2bf89da7cde86dfc7e_74_Fe6O8
| 1 |
[
"Mn",
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] | 14 |
A4B3
|
Mn3O4
|
Mn6 O8
| 2 |
[
1,
1,
1
] | 3 |
[
[
5.90478163,
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agm003215415
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|
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2023-11-16 00:00:00
|
[
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pbe
| true |
e714ce538423a15af23c4723a1beea2f_141_Mn6O8
| 2 |
[
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A4B2C
|
CeO4Sr2
|
Sr4 Ce2 O8
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1,
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1
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agm003215416
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
b22b8df928f988c2ef6f4c0f4c9c7309_55_Sr4Ce2O8
| 55 |
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"O",
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A4B2C
|
O4PbSr2
|
Sr4 Pb2 O8
| 3 |
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1,
1,
1
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0
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agm003215417
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|
[
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2023-11-16 00:00:00
|
[
0.5714285714285714,
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pbe
| true |
4e52e7fafc6916a1ec26ab8324ebd36b_55_Sr4Pb2O8
| 55 |
[
"Ba",
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] | 14 |
A4B2C
|
Ba4OP2
|
Ba8 P4 O2
| 3 |
[
1,
1,
1
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[
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agm003215418
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|
[
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2023-11-16 00:00:00
|
[
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pbe
| true |
083f2a457efea9b166789b33be7f6ceb_64_Ba8P4O2
| 64 |
[
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A4B2C
|
Au2BaP4
|
Ba2 P8 Au4
| 3 |
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1,
1,
1
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agm003215419
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|
[
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2023-11-16 00:00:00
|
[
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pbe
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4a58a12f55d2e047a7003f93b094feca_70_Ba2P8Au4
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[
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A4B2C
|
BaCu2P4
|
Ba2 Cu4 P8
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1
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agm003215420
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2023-11-16 00:00:00
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pbe
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08fda038f8761c2bf8b9d912b73d01dc_70_Ba2Cu4P8
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A4B2C
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Ni2P4Sr
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Sr2 Ni4 P8
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agm003215421
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2023-11-16 00:00:00
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pbe
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da14359ea23668fefb8a59f2674466be_70_Sr2Ni4P8
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A3B2C2
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Bi2Rh3S2
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Bi4 Rh6 S4
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agm003215422
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2023-11-16 00:00:00
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91560fb0e51b22a04a799df3ef5465da_12_Bi4Rh6S4
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A4B2C
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CdIn2S4
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Cd2 In4 S8
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agm003215423
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2023-11-16 00:00:00
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63143065c920718ac60a2c0001bd9d72_227_Cd2In4S8
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Co2NiS4
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Co4 Ni2 S8
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2023-11-16 00:00:00
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pbe
| true |
ec79d35114493f3f5923e612bfc778d4_227_Co4Ni2S8
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[
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A4B2C
|
CoNi2S4
|
Co2 Ni4 S8
| 3 |
[
1,
1,
1
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[
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agm003215425
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|
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2023-11-16 00:00:00
|
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pbe
| true |
f7bf77420bf9a3176ccea57bbd8e0ed2_74_Co2Ni4S8
| 74 |
[
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A4B2C
|
Ga2S4Sr
|
Sr2 Ga4 S8
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agm003215426
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|
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2023-11-16 00:00:00
|
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pbe
| true |
368700d68ab3a914a9e99d712d569f5c_66_Sr2Ga4S8
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A4B2C
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HgIn2S4
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In4 Hg2 S8
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agm003215427
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2023-11-16 00:00:00
|
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pbe
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61eaadab1ced9d48feec7bea8a87127e_227_In4Hg2S8
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A4B3
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Ni3S4
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Ni6 S8
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agm003215428
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2023-11-16 00:00:00
|
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pbe
| true |
dc79a35160676a2b2594aa5d8210e40c_227_Ni6S8
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A4B2C
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S4SnSr2
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Sr4 Sn2 S8
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agm003215429
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2023-11-16 00:00:00
|
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d20b3253b3950edba1bc4fac3f972827_40_Sr4Sn2S8
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CuS4Ti2
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agm003215430
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2023-11-16 00:00:00
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agm003215431
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2023-11-16 00:00:00
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N4Zr3
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agm003215432
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2023-11-16 00:00:00
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829204af24b23956635f14d8294a5e1f_227_Zr6N8
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A3B2C2
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Bi2Pd3Se2
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Bi4 Pd6 Se4
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agm003215433
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2023-11-16 00:00:00
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fafe86140eb9dc03bdfbb7ed6fc42c66_12_Bi4Pd6Se4
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In2SrTe4
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2023-11-16 00:00:00
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pbe
| true |
75e93f659403f700937346f0eec1c800_66_Sr2In4Te8
| 66 |
[
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A4B2C
|
AgCs2F4
|
Cs4 Ag2 F8
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agm003215435
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2023-11-16 00:00:00
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[
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pbe
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436b94b55b6f55021fa5922c5050add9_64_Cs4Ag2F8
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Ag3S3Sb
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Ag6 Sb2 S6
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1
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agm003215436
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2023-11-16 00:00:00
|
[
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pbe
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0e7f252eb5551e74e72a1b4d1cc9050d_161_Ag6Sb2S6
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A3B3C
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Ag3AsS3
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Ag6 As2 S6
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agm003215437
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2023-11-16 00:00:00
|
[
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pbe
| true |
2535b7a6cb4811e6304e6713536fe102_161_Ag6As2S6
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[
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A3B3C
|
Ag3AsSe3
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Ag6 As2 Se6
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agm003215438
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2023-11-16 00:00:00
|
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7c2f43642055b883b8d72409267706e8_161_Ag6As2Se6
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A8B3C2D
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Ag2MnS8Sn3
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Mn Ag2 Sn3 S8
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agm003215439
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"Ag",
"Ag",
"Sn",
"Sn",
"Sn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 00:00:00
|
[
0.14285714285714285,
0.07142857142857142,
0.5714285714285714,
0.21428571428571427
] |
[
[
2.2706795,
-0.08818863,
-0.0624346
],
[
-0.08818863,
2.371851,
-0.03616371
],
[
-0.0624346,
-0.03616371,
2.3973286
]
] | -64.973465 | -70.28114 |
[
4.067,
0.006,
0.006,
0.007,
0.007,
0.007,
0.008,
0.018,
0.008,
0.008,
0.008,
0.018,
0.008,
0.008
] |
[
[
0,
0,
0
],
[
0.00145526,
0.00084293,
0.00059677
],
[
-0.00145526,
-0.00084293,
-0.00059677
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00054948,
-0.00066102,
-0.00010459
],
[
0.00325908,
0.00188774,
0.00133646
],
[
0.00084679,
0.00014773,
0.00010459
],
[
0.00054948,
0.00031827,
0.00058872
],
[
0.00054948,
0.00066102,
0.00010459
],
[
-0.00325908,
-0.00188774,
-0.00133646
],
[
-0.00084679,
-0.00014773,
-0.00010459
],
[
-0.00054948,
-0.00031827,
-0.00058872
]
] | 4.581874 |
[
11.325,
9.501,
9.501,
12.12,
12.12,
12.12,
3.7,
3.688,
3.7,
3.7,
3.7,
3.688,
3.7,
3.7
] | 4.529193 |
pbe
| true |
6e3446ab3bad685063defb09ed6f1545_166_Mn1Ag2Sn3S8
| 166 |
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