Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na8Cr4H32O32	14	P21/c	-P 2ybc	Monoclinic	3.21690 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H40S4O40	14	P21/c	-P 2ybc	Monoclinic	3.06080 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H96C32S8N8O36	14	P21/c	-P 2ybc	Monoclinic	3.10660 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4P8H4O28	14	P21/c	-P 2ybc	Monoclinic	1.67080 eV	CIF | POSCAR | LAMMPS	Materials Project
V4Zn4H4Pb4O20	62	Pnma	-P 2ac 2n	Orthorhombic	2.99050 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4Zn8Si4H8O24	14	P21/c	-P 2ybc	Monoclinic	1.05390 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Ca6Mg7Fe1Si16O48	5	C2	C 2y	Monoclinic	0.07960 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2H20C4N8O12	15	C2/c	-C 2yc	Monoclinic	4.35750 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo2P2H6O14	11	P21/m	-P 2yb	Monoclinic	3.18570 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn2Cu5P4H2O18	2	P-1	-P 1	Triclinic	0.02750 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4P12H8O40	14	P21/c	-P 2ybc	Monoclinic	2.94860 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr8Fe8H8O4F40	64	Cmca	-C 2bc 2	Orthorhombic	3.54170 eV	CIF | POSCAR | LAMMPS	Materials Project
Na3Cd4P6H10Cl3O24	1	P1	P 1	Triclinic	0.09190 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H24Cl6O12	167	R-3c	-R 3 2"c	Hexagonal	3.04590 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H12S2O14	9	Cc	C -2yc	Monoclinic	3.08940 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd2Ni4H48Cl12O24	143	P3	P 3	Hexagonal	4.04760 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H24N6O6F12	2	P-1	-P 1	Triclinic	3.40880 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H48S4O40	15	C2/c	-C 2yc	Monoclinic	2.53370 eV	CIF | POSCAR | LAMMPS	Materials Project
H96W8N24O24F40	61	Pbca	-P 2ac 2ab	Orthorhombic	3.07080 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe16P16H32N8O64	15	C2/c	-C 2yc	Monoclinic	2.50100 eV	CIF | POSCAR | LAMMPS	Materials Project