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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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| [
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| [
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| 2024-02-01T15:27:04 | 6676933920243554627491031182308533603932751601497090691453125044678891983599901166236596695574665083026226918874688413904442955672144916932739589868431636 | CO_6676933920243554627491031 | Al_Cu_Mg_GSFE_JMPS2019 | [
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"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 | [
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| [
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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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13,
13,
13,
13,
13,
13,
13,
13,
13
]
| [
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| [
1
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| null | []
| null | null | null | -44.879174 | null | 0.015297 | 0.055038 | {"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 | 2024-08-16T15:33:52 | 12216148215443417431855469988836342793750908178072156518693598425147017294632499977032344519965631678255142494053815841468741660932315050441861681543627289 | PO_1221614821544341743185546 | null | null | null | [
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| [
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| 2024-02-01T15:27:04 | 10098787178212169903203728345385597165100455894748088306081597633073867703133784125142031710552607646596174089531257228039706106973356133391359806421392729 | CO_1009878717821216990320372 | Al_Cu_Mg_GSFE_JMPS2019 | [
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"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 | [
[
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| [
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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
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| 1 | 12 | [
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| null | []
| null | null | null | -44.455513 | null | 0.010059 | 0.05571 | {"input": {"incar": {"# NBANDS": "90", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ENCUT": "800", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.001", "IBRION": "1", "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 Cu 22Jun2005"]}, "hash": "12813759446310535064766980985605717241812008813417032843249111194669225203971584168235935248770201415615112453899082848916914341697358248888780240939864027", "id": "MD_1281375944631053506476698"} | MD_1281375944631053506476698 | 2024-08-16T15:22:04 | 7959267398682099490866391623627578783592570218242175346689815237573882044295797970273463422015987480870098029145161552879790330108011048073722423684291949 | PO_7959267398682099490866391 | null | null | null | [
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| [
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| 2024-02-01T15:27:04 | 4497791461492724341375568215867461100820965834006083625803107252908650371219483969894577488013335534224609109589933967580482070329205466437020421639945940 | CO_4497791461492724341375568 | Al_Cu_Mg_GSFE_JMPS2019 | [
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"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 | [
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Cu12 | Cu | A | [
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29,
29,
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29,
29,
29
]
| [
"Cu"
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| [
1
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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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| 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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| 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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| 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. | [
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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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"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",
"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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| 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 | [
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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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"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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| null | []
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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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| 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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"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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"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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| [
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| [
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| 2024-02-01T15:27:04 | 4262310501599730931638609842513459956979799194314676486652492540419166870752048432255907286316905937025146306264935438076121070916750516582875650287815542 | CO_4262310501599730931638609 | 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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| 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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| 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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| 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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| 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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| 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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| 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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]
| [
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]
| 2024-02-01T15:27:04 | 10249764106728051366995003825124488529686202626789514906218299925275730419359754467810479069747933827778748633667928465552611274082386802425358430205903079 | CO_1024976410672805136699500 | 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. | [
"Cu",
"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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| [
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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 | [
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29,
29,
29,
29,
29,
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29,
29
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| [
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| [
1
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| [
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| null | []
| null | null | null | -44.711238 | null | 0.020551 | 0.117441 | {"input": {"incar": {"# NBANDS": "90", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ENCUT": "800", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.001", "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 Cu 22Jun2005"]}, "hash": "4367206412192277507681616009951069946465214344864326708665540249242017497987828112888896556460447076000602121917473928494060607206676867720996075713850086", "id": "MD_4367206412192277507681616"} | MD_4367206412192277507681616 | 2024-08-16T14:30:38 | 11650975538574079512516220634619817492781435349607748698692095630368437763774999103549174517022040307301252828759459012529328268864139949300839175117500898 | PO_1165097553857407951251622 | null | null | null | [
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]
| [
"DS_styimm9cal6v_0"
]
| 2024-02-01T15:27:04 | 5402589696378652903559008949192719865899577464027250534899047156526034961269728570781698305707274928234077179635209635355640033187596783700552844817853801 | CO_5402589696378652903559008 | 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 | [
[
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1
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| [
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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 |
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