fig# | type | psymbol | dE[eV/at] | dH[eV/at] | drb | dri | nat | nn_spec | ch_spec | stab | encut | ext | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
info | 1 | BFe14Nd2 | tP68 | 0.0195 | -0.0001 | - | 0.10 | 68 | 4:56:8 | C:Fe:La | ? | m400 | - |
info | 4 | Fe17N3Nd2 | hR22 | 0.0316 | -0.0138 | - | 0.14 | 22 | 3:17:2 | C:Fe:La | ? | m400 | - |
info | 3 | C6Cr23 | cF116 | 0.1208 | 0.1005 | 0.15 | 0.08 | 29 | 6:22:1 | C:Fe:La | ? | m400 | - |
info | 2 | C6Cr23 | cF116 | 0.1954 | 0.1548 | - | 0.15 | 29 | 6:21:2 | C:Fe:La | ? | m400 | - |