MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Co2La3Sn7
|
0
|
-54.004
|
'Cmmm' |
65 |
MatHub3d-31957-Co2La3Sn7 |
Band
|
|
Co4Lu2
|
0
|
-22.916
|
'Fd-3m' |
227 |
MatHub3d-32995-Co4Lu2 |
Band
|
|
Co2Mn1Sn1
|
0
|
-18.510
|
'Fm-3m' |
225 |
MatHub3d-32115-Co2Mn1Sn1 |
Band
|
|
Co6Mo2
|
0
|
-34.317
|
'P6_3/mmc' |
194 |
MatHub3d-33431-Co6Mo2 |
Band
|
|
Co7Mo6
|
0
|
-70.552
|
'R-3m' |
166 |
MatHub3d-33517-Co7Mo6 |
Band
|
|
Co4Nb2
|
0
|
-29.891
|
'Fd-3m' |
227 |
MatHub3d-33061-Co4Nb2 |
Band
|
|
Co7Nb6
|
0
|
-73.797
|
'R-3m' |
166 |
MatHub3d-33520-Co7Nb6 |
Band
|
|
Co1Nb1Sn1
|
0
|
-13.940
|
'F-43m' |
216 |
MatHub3d-31539-Co1Nb1Sn1 |
Band
|
|
Co1Nb1Sn1
|
0
|
-14.595
|
'F-43m' |
216 |
MatHub3d-31540-Co1Nb1Sn1 |
Band
|
|
Co17Nd2
|
0
|
-67.843
|
'R-3m' |
166 |
MatHub3d-33937-Co17Nd2 |
Band
|
|
Li6O8P2
|
5.916
|
-100.662
|
'Pmn2_1' |
31 |
MatHub3d-61027-Li6O8P2 |
Transport
|
|
Co2Ni2Sn2
|
0
|
-21.194
|
'P6_3/mmc' |
194 |
MatHub3d-32188-Co2Ni2Sn2 |
Band
|
|
Co4Np2
|
0
|
-36.072
|
'Fd-3m' |
227 |
MatHub3d-33076-Co4Np2 |
Band
|
|
Co5Pr1
|
0
|
-21.604
|
'P6/mmm' |
191 |
MatHub3d-33275-Co5Pr1 |
Band
|
|
Co1Pt1
|
0
|
-7.297
|
'P4/mmm' |
123 |
MatHub3d-31596-Co1Pt1 |
Band
|
|
Co1Pt3
|
0
|
-16.638
|
'Pm-3m' |
221 |
MatHub3d-31597-Co1Pt3 |
Band
|
|
Co2Pu6
|
0
|
-79.827
|
'Cmcm' |
63 |
MatHub3d-32276-Co2Pu6 |
Band
|
|
Co4Pu2
|
0
|
-36.929
|
'Fd-3m' |
227 |
MatHub3d-33160-Co4Pu2 |
Band
|
|
Co1Sc1
|
0
|
-9.303
|
'Pm-3m' |
221 |
MatHub3d-31607-Co1Sc1 |
Band
|
|
Co2Sc4
|
0
|
-26.657
|
'I4/mcm' |
140 |
MatHub3d-32290-Co2Sc4 |
Band
|
|
Co4Sc2
|
0
|
-24.396
|
'Fd-3m' |
227 |
MatHub3d-33168-Co4Sc2 |
Band
|
|
Co2Sc1Sn1
|
0
|
-17.827
|
'Fm-3m' |
225 |
MatHub3d-32289-Co2Sc1Sn1 |
Band
|
|
La4
|
0
|
-18.991
|
'P6_3/mmc' |
194 |
MatHub3d-58251-La4 |
Band
|
|
Nd4
|
0
|
-18.855
|
'P6_3/mmc' |
194 |
MatHub3d-67232-Nd4 |
Band
|
|
Gd2
|
0
|
-9.165
|
'P6_3/mmc' |
194 |
MatHub3d-49577-Gd2 |
Band
|