MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Lu2Zn17
|
0
|
-18.726
|
'R-3m' |
166 |
MatHub3d-62356-Lu2Zn17 |
Band
|
|
Hf1Ni1Sn1
|
0
|
-15.251
|
'F-43m' |
216 |
MatHub3d-53596-Hf1Ni1Sn1 |
Band
|
|
Hf1Ni2Sn1
|
0
|
-20.841
|
'Fm-3m' |
225 |
MatHub3d-53600-Hf1Ni2Sn1 |
Band
|
|
Hf1Os1
|
0.039
|
-19.794
|
'Pm-3m' |
221 |
MatHub3d-53609-Hf1Os1 |
Band
|
|
Hf4Pd12
|
0
|
-92.643
|
'P6_3/mmc' |
194 |
MatHub3d-53822-Hf4Pd12 |
Band
|
|
Hf2Pd1
|
0
|
-24.602
|
'I4/mmm' |
139 |
MatHub3d-53723-Hf2Pd1 |
Band
|
|
Hf1Pt1
|
0
|
-15.796
|
'Pm-3m' |
221 |
MatHub3d-53620-Hf1Pt1 |
Band
|
|
Hf4Pt12
|
0
|
-104.829
|
'P6_3/mmc' |
194 |
MatHub3d-53824-Hf4Pt12 |
Band
|
|
Hf1Pt1Sn1
|
0
|
-18.510
|
'F-43m' |
216 |
MatHub3d-53622-Hf1Pt1Sn1 |
Band
|
|
Hf1Rh1
|
0
|
-15.680
|
'Pm-3m' |
221 |
MatHub3d-53628-Hf1Rh1 |
Band
|
|
Hf6Rh10
|
0
|
-115.179
|
'Pbam' |
55 |
MatHub3d-53866-Hf6Rh10 |
Band
|
|
Hf1Ru1
|
0
|
-17.400
|
'Pm-3m' |
221 |
MatHub3d-53634-Hf1Ru1 |
Band
|
|
Hf4Sn4
|
0
|
-57.530
|
'P2_13' |
198 |
MatHub3d-53832-Hf4Sn4 |
Band
|
|
Hf10Sn6
|
0
|
-128.960
|
'P6_3/mcm' |
193 |
MatHub3d-53897-Hf10Sn6 |
Band
|
|
Hf1Tc1
|
0
|
-17.991
|
'Pm-3m' |
221 |
MatHub3d-53649-Hf1Tc1 |
Band
|
|
Hf2V4
|
0
|
-44.654
|
'Fd-3m' |
227 |
MatHub3d-53746-Hf2V4 |
Band
|
|
Hf2W4
|
0
|
-62.430
|
'Fd-3m' |
227 |
MatHub3d-53747-Hf2W4 |
Band
|
|
H8N2O8Tc2
|
3.661
|
-118.527
|
'I4_1/a' |
88 |
MatHub3d-52168-H8N2O8Tc2 |
Transport
|
|
Hf2Zn4
|
0
|
-22.450
|
'Fd-3m' |
227 |
MatHub3d-53748-Hf2Zn4 |
Band
|
|
Hg1Ho1
|
0
|
-5.679
|
'Pm-3m' |
221 |
MatHub3d-53938-Hg1Ho1 |
Band
|
|
Hg2Ho1
|
0
|
-6.014
|
'P6/mmm' |
191 |
MatHub3d-54049-Hg2Ho1 |
Band
|
|
Hg1In1
|
0
|
-2.638
|
'R-3m' |
166 |
MatHub3d-53941-Hg1In1 |
Band
|
|
Hg4K4
|
0
|
-6.986
|
'P-1' |
2 |
MatHub3d-54195-Hg4K4 |
Band
|
|
Hg4K2
|
0
|
-4.498
|
'Imma' |
74 |
MatHub3d-54194-Hg4K2 |
Band
|
|
Hg1La1
|
0
|
-5.900
|
'Pm-3m' |
221 |
MatHub3d-53955-Hg1La1 |
Band
|