chemical_formula_hill
string | chemical_formula_reduced
string | chemical_formula_anonymous
string | atomic_numbers
list | elements
list | elements_ratios
list | nelements
int32 | nsites
int32 | cell
list | positions
list | pbc
list | dimension_types
list | nperiodic_dimensions
int32 | structure_hash
string | multiplicity
int32 | software
string | method
string | adsorption_energy
float64 | atomic_forces
list | atomization_energy
float64 | cauchy_stress
list | cauchy_stress_volume_normalized
bool | electronic_band_gap
float64 | electronic_band_gap_type
string | energy
float64 | formation_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | property_object_metadata
string | property_object_metadata_id
string | property_object_last_modified
timestamp[ns] | property_object_hash
string | property_object_id
string | configuration_metadata
string | configuration_metadata_id
string | configuration_labels
list | configuration_names
list | configuration_dataset_ids
list | configuration_last_modified
timestamp[ns] | configuration_hash
string | configuration_id
string | dataset_name
string | dataset_authors
list | dataset_description
string | dataset_elements
list | dataset_nelements
int32 | dataset_nproperty_objects
int64 | dataset_nconfigurations
int32 | dataset_nsites
int64 | dataset_adsorption_energy_count
int64 | dataset_atomic_forces_count
int64 | dataset_atomization_energy_count
int64 | dataset_cauchy_stress_count
int64 | dataset_electronic_band_gap_count
int64 | dataset_energy_count
int64 | dataset_energy_mean
float64 | dataset_energy_variance
float64 | dataset_formation_energy_count
int64 | dataset_last_modified
timestamp[ns] | dataset_dimension_types
list | dataset_nperiodic_dimensions
list | dataset_publication_year
string | dataset_total_elements_ratios
list | dataset_license
string | dataset_links
string | dataset_doi
string | dataset_hash
string | dataset_id
string | dataset_extended_id
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Al12 | Al | A | [
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13
]
| [
"Al"
]
| [
1
]
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[
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0
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[
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]
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[
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[
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[
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[
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]
]
| null | []
| null | null | null | -44.880157 | null | 0.027619 | 0.134951 | {"input": {"incar": {"NBANDS": "42", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ENCUT": "500", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.0001", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "2", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "F", "LELF": "F", "LPLANE": "T", "NCORE": "7", "LSCALU": "F", "NSIM": "4"}, "kpoints": "Automatic mesh\n0\nA\n100 # RH\n", "potcars": ["PAW_PBE Al 04Jan2001"]}, "hash": "5769549314217993716740260025582379881206883126860770416989225164777277377861737981436895958415790574699936788085373044957831907565857817366260769932070910", "id": "MD_5769549314217993716740260"} | MD_5769549314217993716740260 | 2024-08-16T14:48:16 | 7200241826757815107162610635119090226849247716046662998087873314664078991677494733249195796267627124388564362995907876216318951430344041678262885544457695 | PO_7200241826757815107162610 | null | null | null | [
"Al_gamma_line__T00_gamma_line__y_dir__12"
]
| [
"DS_styimm9cal6v_0"
]
| 2024-02-01T15:27:04 | 2205042398730718372090561275391126602353325315759998870649306136400848317232406183371626603611748046859958727522555895218502398002580424767436905286494733 | CO_2205042398730718372090561 | Al_Cu_Mg_GSFE_JMPS2019 | [
"Binglun Yin",
"Predrag Andric",
"W. A. Curtin"
]
| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
"Mg",
"Al"
]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
[
1,
1,
1
]
]
| [
3
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| 2024 | [
0.4485294117647059,
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| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.jmps.2018.09.007', 'source-data': 'https://doi.org/10.24435/materialscloud:2019.0089/v1', 'other': None} | 10.60732/861da1bc | 839776021766752828077761812605478721653114529442663929873511364199678540112849697065793350459172308853791874819205450839255727081819248816347150780849469 | DS_styimm9cal6v_0 | Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0 |
Mg12 | Mg | A | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
]
| [
"Mg"
]
| [
1
]
| 1 | 12 | [
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[
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| [
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| [
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]
]
| null | []
| null | null | null | -18.016094 | null | 0.008709 | 0.039082 | {"input": {"incar": {"# NBANDS": "42", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ENCUT": "400", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.0001", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "2", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "F", "LELF": "F", "LPLANE": "T", "NCORE": "7", "LSCALU": "F", "NSIM": "4"}, "kpoints": "Automatic mesh\n0\nA\n100 # RH\n", "potcars": ["PAW_PBE Mg 13Apr2007"]}, "hash": "11825651237205173501892415807908807336209396576101727632273394671165553902935657232619519961472835706531707811146012794353479144312883392450743887994389221", "id": "MD_1182565123720517350189241"} | MD_1182565123720517350189241 | 2024-08-16T14:31:13 | 5552017708574793421837432037652974393499157764567728800854313302405562172885580988217559036799800538779681880406142196810270573977731347921294669248742565 | PO_5552017708574793421837432 | null | null | null | [
"Mg_gamma_line__T01_gamma_line__y_dir__04"
]
| [
"DS_styimm9cal6v_0"
]
| 2024-02-01T15:27:04 | 6873785413729185073998763764110567646449234715620611443662164629032813554950324884325184348354530070991600051866828599747740039468425918176630726293297680 | CO_6873785413729185073998763 | Al_Cu_Mg_GSFE_JMPS2019 | [
"Binglun Yin",
"Predrag Andric",
"W. A. Curtin"
]
| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
"Mg",
"Al"
]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
[
1,
1,
1
]
]
| [
3
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| 2024 | [
0.4485294117647059,
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| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.jmps.2018.09.007', 'source-data': 'https://doi.org/10.24435/materialscloud:2019.0089/v1', 'other': None} | 10.60732/861da1bc | 839776021766752828077761812605478721653114529442663929873511364199678540112849697065793350459172308853791874819205450839255727081819248816347150780849469 | DS_styimm9cal6v_0 | Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0 |
Mg12 | Mg | A | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
]
| [
"Mg"
]
| [
1
]
| 1 | 12 | [
[
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0
],
[
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0
],
[
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| [
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]
]
| null | []
| null | null | null | -17.971217 | null | 0.007901 | 0.035171 | {"input": {"incar": {"# NBANDS": "42", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ENCUT": "400", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.0001", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "2", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "F", "LELF": "F", "LPLANE": "T", "NCORE": "7", "LSCALU": "F", "NSIM": "4"}, "kpoints": "Automatic mesh\n0\nA\n100 # RH\n", "potcars": ["PAW_PBE Mg 13Apr2007"]}, "hash": "11825651237205173501892415807908807336209396576101727632273394671165553902935657232619519961472835706531707811146012794353479144312883392450743887994389221", "id": "MD_1182565123720517350189241"} | MD_1182565123720517350189241 | 2024-08-16T15:07:38 | 10260563184961439820034875455077372435372154295735792882051278526915013479544348047719428572466641440092125754935709261898927744663416730393377135740697095 | PO_1026056318496143982003487 | null | null | null | [
"Mg_gamma_line__T02_gamma_line__y_dir__04"
]
| [
"DS_styimm9cal6v_0"
]
| 2024-02-01T15:27:04 | 8122751526179501019214591766147075818249590704343688651557001878949468061073878857404716165421888130117035165292458147943457828674038900350405175969028526 | CO_8122751526179501019214591 | Al_Cu_Mg_GSFE_JMPS2019 | [
"Binglun Yin",
"Predrag Andric",
"W. A. Curtin"
]
| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
"Mg",
"Al"
]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
[
1,
1,
1
]
]
| [
3
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| 2024 | [
0.4485294117647059,
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| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.jmps.2018.09.007', 'source-data': 'https://doi.org/10.24435/materialscloud:2019.0089/v1', 'other': None} | 10.60732/861da1bc | 839776021766752828077761812605478721653114529442663929873511364199678540112849697065793350459172308853791874819205450839255727081819248816347150780849469 | DS_styimm9cal6v_0 | Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0 |
Cu12 | Cu | A | [
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
]
| [
"Cu"
]
| [
1
]
| 1 | 12 | [
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0
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[
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]
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| null | []
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
"Mg",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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Mg12 | Mg | A | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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Cu12 | Cu | A | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
"Mg",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.jmps.2018.09.007', 'source-data': 'https://doi.org/10.24435/materialscloud:2019.0089/v1', 'other': None} | 10.60732/861da1bc | 839776021766752828077761812605478721653114529442663929873511364199678540112849697065793350459172308853791874819205450839255727081819248816347150780849469 | DS_styimm9cal6v_0 | Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0 |
Mg12 | Mg | A | [
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| [
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| 2024-02-01T15:27:04 | 12679155704665838474104381140420674661806533668479287624658804180699000478721972715421060209108219757309311352828597364352152971096115301440769311420307005 | CO_1267915570466583847410438 | Al_Cu_Mg_GSFE_JMPS2019 | [
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]
| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
"Al"
]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.jmps.2018.09.007', 'source-data': 'https://doi.org/10.24435/materialscloud:2019.0089/v1', 'other': None} | 10.60732/861da1bc | 839776021766752828077761812605478721653114529442663929873511364199678540112849697065793350459172308853791874819205450839255727081819248816347150780849469 | DS_styimm9cal6v_0 | Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0 |
Al12 | Al | A | [
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| [
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| null | []
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| [
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| 2024-02-01T15:27:04 | 8292413953249286909637426135032815829124158986772594048329606246764545019729875620291047856058305192754852668536979526063572821897880419470864544289428158 | CO_8292413953249286909637426 | Al_Cu_Mg_GSFE_JMPS2019 | [
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]
| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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"Mg",
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
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| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
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-0.00009,
0.000052,
0.000042
],
[
0.000091,
-0.000053,
-0.00005
],
[
0.001223,
-0.000706,
0.000017
],
[
-0.000763,
0.00044,
-0.000015
],
[
-0.008991,
0.005191,
-0.000026
],
[
0.02075,
-0.01198,
-0.000075
],
[
0.047662,
-0.027518,
0.000142
]
]
| null | []
| null | null | null | -44.879183 | null | 0.015298 | 0.055039 | {"input": {"incar": {"NBANDS": "42", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ENCUT": "500", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.0001", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "2", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "F", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4"}, "kpoints": "Automatic mesh\n0\nA\n100 # RH\n", "potcars": ["PAW_PBE Al 04Jan2001"]}, "hash": "10451038133819883566893886597998975610703536276353934222402849164405042275908995702469283093524109697606247362369712274148970285363254834854632676983983073", "id": "MD_1045103813381988356689388"} | MD_1045103813381988356689388 | 2024-08-16T14:32:40 | 3738964147430564825603889061407746824005641086620643360443494313396586596460883506095245263064485810278313262143705493484928134047519426818220192556829752 | PO_3738964147430564825603889 | null | null | null | [
"Al_gamma_line__T02_gamma_line__y_dir__04"
]
| [
"DS_styimm9cal6v_0"
]
| 2024-02-01T15:27:04 | 9003747724454562734439675081527268045404172815263913379576033344241704864368740660187987895522823234875515034088950606598266917335749790383025604756522645 | CO_9003747724454562734439675 | Al_Cu_Mg_GSFE_JMPS2019 | [
"Binglun Yin",
"Predrag Andric",
"W. A. Curtin"
]
| Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg. | [
"Cu",
"Mg",
"Al"
]
| 3 | 273 | 273 | 3,264 | 0 | 273 | 0 | 273 | 0 | 273 | -39.306451 | 114.773448 | 0 | 2024-02-01T10:29:40 | [
[
1,
1,
1
]
]
| [
3
]
| 2024 | [
0.4485294117647059,
0.20220588235294118,
0.3492647058823529
]
| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.jmps.2018.09.007', 'source-data': 'https://doi.org/10.24435/materialscloud:2019.0089/v1', 'other': None} | 10.60732/861da1bc | 839776021766752828077761812605478721653114529442663929873511364199678540112849697065793350459172308853791874819205450839255727081819248816347150780849469 | DS_styimm9cal6v_0 | Al_Cu_Mg_GSFE_JMPS2019__Yin-Andric-Curtin__DS_styimm9cal6v_0 |
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