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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| 2024-02-01T15:27:04 | 10166442769280578482291851917990160289310386786894861917575229900679010945520471686526291518881320742441058504591661374400282985881899686818733960354910298 | CO_1016644276928057848229185 | 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,
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29,
29,
29
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| [
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| null | []
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| [
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| 2024-02-01T15:27:04 | 872368232583137889076823896020693451945135484441460432713109173839438890855481608843852738183258867909273195485877099891049156795439437134973837216196413 | CO_8723682325831378890768238 | 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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| 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,
29,
29,
29,
29
]
| [
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| [
1
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| 1 | 12 | [
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| null | []
| null | null | null | -44.434352 | null | 0.004387 | 0.019114 | {"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 | 2024-08-16T14:58:29 | 7042081981991024470335476385630519831839936194181068407745705033804380686056711708528147756594420284497054402917749824806959697695127167714413571697879450 | PO_7042081981991024470335476 | null | null | null | [
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| [
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| 2024-02-01T15:27:04 | 2951125294237628949903431860870392059525821173043723464422645412700251015944211932354396805441709884105204426860947659791225052355124946000726178670511368 | CO_2951125294237628949903431 | 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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Mg12 | Mg | A | [
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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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| 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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"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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| [
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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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| 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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| 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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| 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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| 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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| 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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| 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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"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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"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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| [
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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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| 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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| 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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-0.000655,
-0.000018
],
[
-0.007224,
0.004171,
0.000034
],
[
-0.007474,
0.004315,
-0.000037
]
]
| null | []
| null | null | null | -18.010195 | null | 0.00365 | 0.008632 | {"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 | 2024-08-16T14:20:37 | 4610122144269688550398272442525233170281491708373807667138506644325751440418221195696551706245815090795831490124742552848165730682402613645997215023893584 | PO_4610122144269688550398272 | null | null | null | [
"Mg_gamma_line__T01_gamma_line__y_dir__05"
]
| [
"DS_styimm9cal6v_0"
]
| 2024-02-01T15:27:04 | 11776314039074056173177144254642423047919324092184530319679973170891105301995001031837881543263454321569326419228203148306689614358556607548183779624142047 | CO_1177631403907405617317714 | 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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