|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
info | 12 | C6Cr23 | cF116 | STABLE | -0.2119 | - | 0.02 | 29 | 6:21:2 | B:Fe:Mo | ? | m319 | - |
info | 9 | BCr | oC8 | STABLE | -0.3928 | 0.11 | 0.15 | 8 | 4:1:3 | B:Fe:Mo | LT | m319 | - |
info | 14 | Si2U3 | tP10 | STABLE | -0.3685 | - | 0.04 | 10 | 4:2:4 | B:Fe:Mo | LT | m319 | - |
info | 6 | B4Ta3 | oI14 | STABLE | -0.3813 | - | 0.36 | 7 | 4:2:1 | B:Fe:Mo | LT | m319 | - |
info | 2 | B2Co3Zr | hR18 | 0.0630 | -0.2461 | - | 0.10 | 18 | 6:9:3 | B:Fe:Mo | ? | m319 | - |
info | 8 | B7ReY3 | oC44 | 0.0821 | -0.2035 | - | 0.03 | 22 | 14:2:6 | B:Fe:Mo | ? | m319 | - |
info | 11 | C5Fe11Mo6 | mC44 | 0.0827 | -0.1400 | - | 0.14 | 22 | 5:11:6 | B:Fe:Mo | ? | m319 | - |
info | 5 | B4Ta3 | oI14 | 0.0904 | -0.2552 | - | 0.07 | 7 | 4:1:2 | B:Fe:Mo | ? | m319 | - |
info | 13 | Fe2P | hP9 | 0.1436 | -0.1692 | - | 0.10 | 9 | 3:3:3 | B:Fe:Mo | ? | m319 | - |
info | 1 | Al4Ba | tI10 | 0.1452 | -0.2025 | - | 0.16 | 5 | 2:2:1 | B:Fe:Mo | ? | m319 | - |
info | 4 | B4CrY | oP24 | 0.1521 | -0.1306 | - | 0.18 | 24 | 16:4:4 | B:Fe:Mo | ? | m319 | - |
info | 10 | BFe14Nd2 | tP68 | 0.2407 | 0.1783 | - | 0.17 | 68 | 4:56:8 | B:Fe:Mo | ? | m319 | - |
info | 3 | B4Co4Nd | tP18 | 0.2720 | -0.0833 | - | 0.17 | 18 | 8:8:2 | B:Fe:Mo | ? | m319 | - |
info | 7 | B6Co3Tb4 | hR13 | 0.5810 | 0.1976 | - | 0.05 | 13 | 6:2:5 | B:Fe:Mo | ? | m319 | - |
![](http://alloy.phys.cmu.edu/published/c6cr23/ENCUT=320/alloydb/sysfig/b-fe-mo.paw_gga.png) |