Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Mo2H24Pd2N8O8	141	I41/amd	I 4bw 2bw -1bw	Tetragonal	2.86210 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe3P2H16O16	12	C2/m	-C 2y	Monoclinic	3.13050 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni1H12Br2O14	147	P-3	-P 3	Hexagonal	3.03800 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2H16Cl4O8	14	P21/c	-P 2ybc	Monoclinic	3.79710 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4Fe2Ag4P6O24	5	C2	C 2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca8Nd8Mn16O48	6	Pm	P -2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo30Se38	15	C2/c	-C 2yc	Monoclinic	0.03580 eV	CIF | POSCAR | LAMMPS	Materials Project
Li4Ti4Mn2Cr4P12O48	1	P1	P 1	Triclinic	2.35140 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca1V2P2H8O14	1	P1	P 1	Triclinic	2.28580 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6V2H22I2O26	2	P-1	-P 1	Triclinic	0.17700 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr4H56N16Cl12O4	62	Pnma	-P 2ac 2n	Orthorhombic	3.26180 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Co8P24H64O80	61	Pbca	-P 2ac 2ab	Orthorhombic	3.13530 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Cr4H96S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	3.71890 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr1H18O9F3	146	R3	R 3	Hexagonal	4.07050 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4P4H20C4O16	33	Pna21	P 2c -2n	Orthorhombic	3.34540 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2P6H36C12S12O12	15	C2/c	-C 2yc	Monoclinic	2.59980 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4P12H40C12N4O36	14	P21/c	-P 2ybc	Monoclinic	4.76110 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn10Fe20O40	1	P1	P 1	Triclinic	0.09400 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Cr8H4C40O40	2	P-1	-P 1	Triclinic	0.00700 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe6P16H52N2O72	15	C2/c	-C 2yc	Monoclinic	1.39890 eV	CIF | POSCAR | LAMMPS	Materials Project