MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ga2Mn6Sn4Tm1 0 -68.032 'P6/mmm' 191 MatHub3d-48822-Ga2Mn6Sn4Tm1 Band
Hg7K2 0 -5.399 'P-3m1' 164 MatHub3d-54295-Hg7K2 Band
Hg7Rb2 0 -5.199 'P-3m1' 164 MatHub3d-54296-Hg7Rb2 Band
C12Cs6H6 4.567 -128.571 'R3c' 161 MatHub3d-22250-C12Cs6H6 Transport
C4Cl4H12O4S4 2.533 -131.887 'P2_1/c' 14 MatHub3d-19870-C4Cl4H12O4S4 Transport
Ca1Ni1 0 -4.335 'Pm-3m' 221 MatHub3d-24909-Ca1Ni1 Band
Fe1H6Mg2 3.253 -29.756 'Fm-3m' 225 MatHub3d-45802-Fe1H6Mg2 Transport
Ir3Np3Sn3 0 -72.111 'P-62m' 189 MatHub3d-56507-Ir3Np3Sn3 Band
Au2In4Na2 0 -17.137 'Cmcm' 63 MatHub3d-7737-Au2In4Na2 Band
Ca4 0 -7.659 'Cmce' 64 MatHub3d-25514-Ca4 Band
Ca4 0 -7.708 'Pnma' 62 MatHub3d-25515-Ca4 Band
Au2Co2Na8O10 2.085 -96.955 'Cmcm' 63 MatHub3d-7612-Au2Co2Na8O10 Transport
Li6Sn6 0 -38.278 'I4_1/amd' 141 MatHub3d-61142-Li6Sn6 Band
Al10Eu10 0 -62.212 'Pmmn' 59 MatHub3d-4452-Al10Eu10 Band
As4Pt2Rb4 0.834 -35.622 'Cmcm' 63 MatHub3d-6405-As4Pt2Rb4 Transport
Mg4Zn8 0 -10.213 'P6_3/mmc' 194 MatHub3d-62959-Mg4Zn8 Band
Ce1Pd3 0 -17.271 'Pm-3m' 221 MatHub3d-27801-Ce1Pd3 Band
Co6P3 0 -39.112 'P-62m' 189 MatHub3d-33473-Co6P3 Band
Cs2Na2Te2 1.959 -16.789 'P4/nmm' 129 MatHub3d-36583-Cs2Na2Te2 Transport
Eu4Pt4Sn4 0 -51.822 'Pnma' 62 MatHub3d-41852-Eu4Pt4Sn4 Band
Rh1Zn1 0 -5.512 'Pm-3m' 221 MatHub3d-72559-Rh1Zn1 Band
Rh1Zn13 0 -11.088 'C2/m' 12 MatHub3d-72561-Rh1Zn13 Band
Ga4Yb2 0 -17.920 'P6_3/mmc' 194 MatHub3d-49130-Ga4Yb2 Band
Ga2Yb1 0 -8.786 'P6/mmm' 191 MatHub3d-48896-Ga2Yb1 Band
Bi1Ni9S8Te1 0 -69.567 'P4/mmm' 123 MatHub3d-15648-Bi1Ni9S8Te1 Band