Configuration Set
local_polarization_in_oxygen-deficient_LaMnO3_PRR2020_O2__CS_wdpext919y0n_0
| Name | local_polarization_in_oxygen-deficient_LaMnO3_PRR2020_O2 |
|---|---|
| Extended ID | local_polarization_in_oxygen-deficient_LaMnO3_PRR2020_O2__CS_wdpext919y0n_0 |
| Description | Configurations from local_polarization_in_oxygen-deficient_LaMnO3_PRR2020 of the O2 molecule used to compute the defect formation energies |
| Elements |
Mn (33.33%) O (66.67%) |
| Number of Configurations | 6 |
| Number of Atoms | 36 |
| Configurations |
CO_1785127557285033774 CO_2201601058452003713 CO_1857735669192671360 CO_863971213340419228 CO_1993208356332427149 CO_296412199479503588 |
| Datasets |
DS_t8goqf2uglhj_0 |
| ColabFit ID | CS_wdpext919y0n_0 |
| Files | colabfitspec.json |
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