MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Fe4Si2 0 -31.490 'P-3m1' 164 MatHub3d-47589-Fe4Si2 Band
Co3In2S2 0 -25.575 'R-3m' 166 MatHub3d-32457-Co3In2S2 Band
As8Sr6 0.610 -60.634 'Fdd2' 43 MatHub3d-6924-As8Sr6 Transport
Be2Li2Sb2 0.888 -21.119 'P6_3mc' 186 MatHub3d-15047-Be2Li2Sb2 Band
Bi2Zn2 0 -7.677 'P6_3mc' 186 MatHub3d-16089-Bi2Zn2 Band
K4Sb4Se8 1.204 -60.006 'P-1' 2 MatHub3d-57321-K4Sb4Se8 Transport
Al2Ca3Si2 0 -27.144 'Immm' 71 MatHub3d-2496-Al2Ca3Si2 Band
Al2Si2Sr3 0 -26.077 'Immm' 71 MatHub3d-2925-Al2Si2Sr3 Band
Al2Ba3Si2 0 -26.590 'Immm' 71 MatHub3d-2427-Al2Ba3Si2 Band
Ba2Ge4 0 -24.910 'I4_1/amd' 141 MatHub3d-12637-Ba2Ge4 Band
Al2Se4Tl2 0.596 -31.932 'I4/mcm' 140 MatHub3d-2920-Al2Se4Tl2 Transport
Ga2Se4Tl2 0.546 -28.991 'I4/mcm' 140 MatHub3d-48875-Ga2Se4Tl2 Transport
Ag3Ca3P3 0 -31.621 'P-62m' 189 MatHub3d-1031-Ag3Ca3P3 Band
Ag3As3Ca3 0 -29.702 'P-62m' 189 MatHub3d-1018-Ag3As3Ca3 Band
Bi4Cl4S4 1.920 -47.231 'Pnma' 62 MatHub3d-16198-Bi4Cl4S4 Band
Nb2O8Y2 3.683 -107.915 'C2/c' 15 MatHub3d-66785-Nb2O8Y2 Band
Fe2Na2O4S4 0 -53.133 'C2/c' 15 MatHub3d-46515-Fe2Na2O4S4 Band
Ni3S2Sn2 0 -26.509 'R-3m' 166 MatHub3d-67685-Ni3S2Sn2 Band
In2Sb2 0.031 -13.139 'Pmmn' 59 MatHub3d-55749-In2Sb2 Band
As2Cu1O8Zn2 1.656 -69.414 'P-1' 2 MatHub3d-5491-As2Cu1O8Zn2 Transport
Al2C2N2O10 0.374 -97.177 'Cmcm' 63 MatHub3d-2451-Al2C2N2O10 Band
Cu2P2Th1 0.268 -26.884 'P-3m1' 164 MatHub3d-38748-Cu2P2Th1 Transport
P2Yb1Zn2 0.813 -17.132 'P-3m1' 164 MatHub3d-71275-P2Yb1Zn2 Transport
Ag1Cl1O4 3.645 -22.833 'I-42m' 121 MatHub3d-211-Ag1Cl1O4 Transport
As1S3Tl3 1.204 -25.910 'R3m' 160 MatHub3d-5195-As1S3Tl3 Transport