Configuration Set
stable_and_metastable_phases_in_sputtered_CuInS2_secondary_phases_relax__CS_axzzifu28vsl_0
| Name | stable_and_metastable_phases_in_sputtered_CuInS2_secondary_phases_relax |
|---|---|
| Extended ID | stable_and_metastable_phases_in_sputtered_CuInS2_secondary_phases_relax__CS_axzzifu28vsl_0 |
| Description | Configurations of CuInS2 from stable_and_metastable_phases_in_sputtered_CuInS2 dataset from tight-converged ionic relaxations (secondary phases) |
| Elements |
Cu (9.17%) In (25.0%) Na (15.83%) S (50.0%) |
| Number of Configurations | 12 |
| Number of Atoms | 240 |
| Configurations |
CO_1913369259947691926 CO_541599778722881202 CO_2229543437819816363 CO_1342987652768743044 CO_1511198288635675956 CO_183913198908486443 CO_1852320148104239333 CO_2129454223533025270 CO_47661716230242857 CO_1826094114715396349 CO_1550020457680303524 CO_886853054072069809 |
| Datasets |
DS_qk4qfeka1e3m_0 |
| ColabFit ID | CS_axzzifu28vsl_0 |
| Files | colabfitspec.json |
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