fig# | type | psymbol | dE[eV/at] | dH[eV/at] | drb | dri | nat | nn_spec | ch_spec | stab | encut | ext | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
info | - | C | hP4 | STABLE | 0.0000 | - | - | 4 | 4 | C | LT | m400 | - |
info | 3 | C3Pu2 | cI40 | STABLE | -0.0080 | - | 0.20 | 20 | 8:12 | Ac:C | ? | m400 | - |
info | - | Cu | cF4 | STABLE | 0.0000 | - | - | 1 | 1 | Ac | ? | m400 | - |
info | 2 | C2Th | tP6 | 0.1014 | 0.0948 | - | 0.15 | 6 | 2:4 | Ac:C | ? | m400 | - |
info | 8 | FeS2 | cP12 | 0.1282 | 0.1216 | - | 0.16 | 12 | 4:8 | Ac:C | ? | m400 | - |
info | - | C | cF8 | 0.135088 | 0.1351 | - | - | 8 | 8 | C | MS | m400 | - |
info | 6 | ClNa | cF8 | 0.5348 | 0.5281 | - | - | 2 | 1:1 | Ac:C | ? | m400 | - |
info | 1 | C2Ca | tI6 | 2.2843 | 2.2776 | - | 0.74 | 3 | 1:2 | Ac:C | ? | m400 | - |