|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 2 | Be3Nb | hR12 | STABLE | -0.1918 | - | 0.06 | 12 | 9:1:2 | Fe:Y_sv:Zr | ? | m268 | - |
| info | 3 | Be3Nb | hR12 | 0.0102 | -0.1259 | 0.02 | 0.05 | 12 | 9:2:1 | Fe:Y_sv:Zr | ? | m268 | - |
| info | 6 | Cu2Mg | cF24 | 0.0122 | -0.1736 | 0.00 | - | 6 | 4:1:1 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 7 | MgNi2 | hP24 | 0.0141 | -0.2239 | 0.07 | 0.03 | 24 | 16:2:6 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 8 | MgNi2 | hP24 | 0.0220 | -0.1637 | 0.01 | 0.01 | 24 | 16:4:4 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 4 | BRe3 | oC16 | 0.0336 | -0.1066 | 0.06 | 0.39 | 8 | 2:1:5 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 10 | Th2Zn17 | hR19 | 0.0435 | -0.0268 | 0.02 | 0.14 | 19 | 17:1:1 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 9 | Mn23Th6 | cF116 | 0.0679 | -0.0703 | 0.04 | 0.10 | 29 | 23:3:3 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 5 | BRe3 | oC16 | 0.0990 | -0.0255 | 0.14 | 0.20 | 8 | 2:3:3 | Fe:Y_sv:Zr | ? | h320 | - |
| info | 1 | Al2Cu | tI12 | 0.1829 | 0.0273 | 0.13 | 0.13 | 6 | 2:2:2 | Fe:Y_sv:Zr | ? | h320 | - |
 |