Full formulaSpace groupHMHALLLattice systemBand gapStructure fileSource
Na8Cr4H32O3214P21/c-P 2ybcMonoclinic3.21690 eVCIF | POSCAR | LAMMPSMaterials Project
V4H40S4O4014P21/c-P 2ybcMonoclinic3.06080 eVCIF | POSCAR | LAMMPSMaterials Project
V4H96C32S8N8O3614P21/c-P 2ybcMonoclinic3.10660 eVCIF | POSCAR | LAMMPSMaterials Project
Mn4P8H4O2814P21/c-P 2ybcMonoclinic1.67080 eVCIF | POSCAR | LAMMPSMaterials Project
V4Zn4H4Pb4O2062Pnma-P 2ac 2nOrthorhombic2.99050 eVCIF | POSCAR | LAMMPSMaterials Project
Mn4Zn8Si4H8O2414P21/c-P 2ybcMonoclinic1.05390 eVCIF | POSCAR | LAMMPSMaterials Project
Na2Ca6Mg7Fe1Si16O485C2C 2yMonoclinic0.07960 eVCIF | POSCAR | LAMMPSMaterials Project
Ni2H20C4N8O1215C2/c-C 2ycMonoclinic4.35750 eVCIF | POSCAR | LAMMPSMaterials Project
Mo2P2H6O1411P21/m-P 2ybMonoclinic3.18570 eVCIF | POSCAR | LAMMPSMaterials Project
Mn2Cu5P4H2O182P-1-P 1Triclinic0.02750 eVCIF | POSCAR | LAMMPSMaterials Project
Fe4P12H8O4014P21/c-P 2ybcMonoclinic2.94860 eVCIF | POSCAR | LAMMPSMaterials Project
Sr8Fe8H8O4F4064Cmca-C 2bc 2Orthorhombic3.54170 eVCIF | POSCAR | LAMMPSMaterials Project
Na3Cd4P6H10Cl3O241P1P 1Triclinic0.09190 eVCIF | POSCAR | LAMMPSMaterials Project
Cr2H24Cl6O12167R-3c-R 3 2"cHexagonal3.04590 eVCIF | POSCAR | LAMMPSMaterials Project
Cr2H12S2O149CcC -2ycMonoclinic3.08940 eVCIF | POSCAR | LAMMPSMaterials Project
Cd2Ni4H48Cl12O24143P3P 3Hexagonal4.04760 eVCIF | POSCAR | LAMMPSMaterials Project
Cr2H24N6O6F122P-1-P 1Triclinic3.40880 eVCIF | POSCAR | LAMMPSMaterials Project
Co4H48S4O4015C2/c-C 2ycMonoclinic2.53370 eVCIF | POSCAR | LAMMPSMaterials Project
H96W8N24O24F4061Pbca-P 2ac 2abOrthorhombic3.07080 eVCIF | POSCAR | LAMMPSMaterials Project
Fe16P16H32N8O6415C2/c-C 2ycMonoclinic2.50100 eVCIF | POSCAR | LAMMPSMaterials Project