|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
info | 11 | B6Co3Tb4 | hR13 | STABLE | -0.4962 | - | 0.23 | 13 | 6:2:5 | B:Fe:Y_sv | ? | m319 | - |
info | 17 | BFe14Nd2 | tP68 | STABLE | -0.1153 | - | 0.02 | 68 | 4:56:8 | B:Fe:Y_sv | LT | m319 | - |
info | 14 | B6ReY2 | oP36 | STABLE | -0.6074 | - | 0.12 | 36 | 24:4:8 | B:Fe:Y_sv | ? | m319 | - |
info | 16 | BCeCo4 | hP12 | STABLE | -0.2381 | - | 0.01 | 12 | 2:8:2 | B:Fe:Y_sv | ? | m319 | - |
info | 1 | Al4Ba | tI10 | STABLE | -0.4509 | - | 0.34 | 5 | 2:2:1 | B:Fe:Y_sv | LT | m319 | - |
info | 15 | B7ReY3 | oC44 | STABLE | -0.6000 | - | 0.09 | 22 | 14:2:6 | B:Fe:Y_sv | LT | m319 | - |
info | 7 | B4CrY | oP24 | STABLE | -0.6109 | - | 0.13 | 24 | 16:4:4 | B:Fe:Y_sv | ? | m319 | - |
info | 6 | B4Co4Nd | tP18 | STABLE | -0.4942 | - | 0.22 | 18 | 8:8:2 | B:Fe:Y_sv | ? | m319 | - |
info | 9 | B4MoTh | oC24 | 0.0023 | -0.6086 | - | 0.09 | 24 | 16:4:4 | B:Fe:Y_sv | ? | m319 | - |
info | 4 | B2Nd3Ni13 | hP18 | 0.0037 | -0.1772 | - | 0.05 | 18 | 2:13:3 | B:Fe:Y_sv | ? | m319 | - |
info | 5 | B3Fe23Nd2 | cI224 | 0.0168 | -0.1240 | - | 0.07 | 112 | 12:92:8 | B:Fe:Y_sv | ? | m319 | - |
info | 22 | *d-B7ReY3 | *B1 | 0.0198 | -0.5678 | - | - | 39 | 24:4:11 | B:Fe:Y_sv | ? | m319 | - |
info | 3 | B2Co3Zr | hR18 | 0.0598 | -0.3312 | - | 0.23 | 18 | 6:9:3 | B:Fe:Y_sv | ? | m319 | - |
info | 20 | C6Cr23 | cF116 | 0.0740 | -0.1645 | - | 0.13 | 29 | 6:21:2 | B:Fe:Y_sv | ? | m319 | - |
info | 25 | *d-B7ReY3 | *H1 | 0.0831 | -0.5145 | - | - | 41 | 26:5:10 | B:Fe:Y_sv | ? | m319 | - |
info | 18 | C2Mn17Pr2 | hR22 | 0.0842 | -0.0949 | - | 0.08 | 22 | 3:17:2 | B:Fe:Y_sv | ? | m319 | - |
info | 13 | B6Er2Ni3 | oC22 | 0.0890 | -0.4602 | - | 0.42 | 11 | 6:3:2 | B:Fe:Y_sv | ? | m319 | - |
info | 23 | *d-B7ReY3 | *H1 | 0.1082 | -0.4951 | - | - | 40 | 26:4:10 | B:Fe:Y_sv | ? | m319 | - |
info | 24 | *d-B7ReY3 | *H1 | 0.1168 | -0.4819 | - | - | 41 | 26:4:11 | B:Fe:Y_sv | ? | m319 | - |
info | 19 | C3La2Mn22 | tI56 | 0.1231 | -0.0531 | - | 0.04 | 28 | 4:22:2 | B:Fe:Y_sv | ? | m319 | - |
info | 12 | B6Co3Tb4 | hR13 | 0.1502 | -0.3483 | - | 0.17 | 13 | 6:3:4 | B:Fe:Y_sv | ? | m319 | - |
info | 26 | *quench | - | 0.1864 | -0.0602 | - | - | 100 | 20:70:10 | B:Fe:Y_sv | ? | m319 | - |
info | 10 | B4Ru5Sc2 | mP22 | 0.2071 | -0.2111 | - | 0.08 | 22 | 8:10:4 | B:Fe:Y_sv | ? | m319 | - |
info | 21 | CFe3 | oP16 | 0.2581 | -0.0199 | 0.17 | 0.20 | 16 | 4:11:1 | B:Fe:Y_sv | ? | m319 | - |
info | 8 | B4Ir3Zr | hP16 | 0.2659 | -0.2575 | - | 0.13 | 16 | 8:6:2 | B:Fe:Y_sv | ? | m319 | - |
info | 2 | B14Fe62Y3 | cI158 | 0.3559 | 0.1641 | - | 0.15 | 79 | 14:62:3 | B:Fe:Y_sv | ? | m319 | - |
![](http://alloy.phys.cmu.edu/published/c6cr23/ENCUT=320/alloydb/sysfig/b-fe-y_sv.paw_gga.png) |