MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Mn6Sn2 0 -33.043 'P6_3/mmc' 194 MatHub3d-63907-Mn6Sn2 Band
Mn2Sn1W1 0 -23.126 'Fm-3m' 225 MatHub3d-63545-Mn2Sn1W1 Band
Ni4Tb2 0 -20.607 'Fd-3m' 227 MatHub3d-67819-Ni4Tb2 Band
Mn8Tm4 0 -50.793 'P6_3/mmc' 194 MatHub3d-64019-Mn8Tm4 Band
Mn4U2 0 -39.340 'Imma' 74 MatHub3d-63826-Mn4U2 Band
Mn1V1 0 -11.243 'Pm-3m' 221 MatHub3d-63322-Mn1V1 Band
Cl8Te12 1.355 -58.291 'P2_1/c' 14 MatHub3d-30062-Cl8Te12 Band
Mn4Y2 0 -29.109 'Fd-3m' 227 MatHub3d-63827-Mn4Y2 Band
Co2Na8O6 1.421 -69.365 'Cc' 9 MatHub3d-32160-Co2Na8O6 Transport
Mn1Zn1 0 -7.180 'Pm-3m' 221 MatHub3d-63325-Mn1Zn1 Band
Mn1Zn3 0 -7.916 'Pm-3m' 221 MatHub3d-63326-Mn1Zn3 Band
Al4Dy6Ni12 0 -82.495 'Im-3m' 229 MatHub3d-3422-Al4Dy6Ni12 Band
Al18Er2Ni6 0 -103.832 'R32' 155 MatHub3d-4754-Al18Er2Ni6 Band
Al18Gd2Ni6 0 -104.097 'R32' 155 MatHub3d-4755-Al18Gd2Ni6 Band
Ca4H4O16P4 5.577 -189.475 'P1' 1 MatHub3d-25634-Ca4H4O16P4 Band
Mo2Ni6 0 -30.496 'Pmmn' 59 MatHub3d-64236-Mo2Ni6 Band
Mo1Ni4 0 -17.554 'I4/m' 87 MatHub3d-64175-Mo1Ni4 Band
Mo6Os2 0 -65.026 'Pm-3n' 223 MatHub3d-64457-Mo6Os2 Band
Mo2P8 0 -62.760 'C2/c' 15 MatHub3d-64274-Mo2P8 Band
Ba8Sb8Te24 0.388 -155.179 'P2_12_12_1' 19 MatHub3d-14488-Ba8Sb8Te24 Transport
Mo6Pt2 0 -57.216 'Pm-3n' 223 MatHub3d-64461-Mo6Pt2 Band
Mo2Rh6 0 -42.101 'P6_3/mmc' 194 MatHub3d-64279-Mo2Rh6 Band
Mo6Sn2 0 -56.377 'Pm-3n' 223 MatHub3d-64477-Mo6Sn2 Band
I8Pr4 0 -46.971 'F-43m' 216 MatHub3d-55194-I8Pr4 Band
Mo1U2 0 -30.153 'I4/mmm' 139 MatHub3d-64211-Mo1U2 Band