Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Fe2O4	166	R-3m	-R 3 2"	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2O2	139	I4/mmm	-I 4 2	Tetragonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe12O16	26	Pmc21	P 2c -2	Orthorhombic	0.60850 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe8O12	33	Pna21	P 2c -2n	Orthorhombic	1.42480 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2O4	164	P-3m1	-P 3 2"	Hexagonal	1.46170 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe14O16	2	P-1	-P 1	Triclinic	1.07230 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2O2	225	Fm-3m	-F 4 2 3	Cubic	2.31750 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2O4	166	R-3m	-R 3 2"	Hexagonal	1.78540 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe6O8	36	Cmc21	C 2c -2	Orthorhombic	0.56640 eV	CIF | POSCAR | LAMMPS	Materials Project
V8O14	2	P-1	-P 1	Triclinic	0.36830 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2O2	216	F-43m	F -4 2 3	Cubic	0.58800 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo2O6	11	P21/m	-P 2yb	Monoclinic	1.67960 eV	CIF | POSCAR | LAMMPS	Materials Project
W2O6	221	Pm-3m	-P 4 2 3	Cubic	1.11620 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo4O12	7	Pc	P -2yc	Monoclinic	0.50500 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2O4	166	R-3m	-R 3 2"	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo6O16	12	C2/m	-C 2y	Monoclinic	0.99410 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2O4	166	R-3m	-R 3 2"	Hexagonal	1.21740 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo4O8	2	P-1	-P 1	Triclinic	1.02740 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2O4	58	Pnnm	-P 2 2n	Orthorhombic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
V8O14	2	P-1	-P 1	Triclinic	1.00350 eV	CIF | POSCAR | LAMMPS	Materials Project