Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
V2O4	58	Pnnm	-P 2 2n	Orthorhombic	0.86190 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn2O2	225	Fm-3m	-F 4 2 3	Cubic	1.68230 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo2O4	12	C2/m	-C 2y	Monoclinic	0.77490 eV	CIF | POSCAR | LAMMPS	Materials Project
V2O2	166	R-3m	-R 3 2"	Hexagonal	0.78320 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr6O2	167	R-3c	-R 3 2"c	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4O8	141	I41/amd	I 4bw 2bw -1bw	Tetragonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
V4O6	167	R-3c	-R 3 2"c	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
V12O20	9	Cc	C -2yc	Monoclinic	1.02340 eV	CIF | POSCAR | LAMMPS	Materials Project
V12O26	11	P21/m	-P 2yb	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2O4	12	C2/m	-C 2y	Monoclinic	0.33670 eV	CIF | POSCAR | LAMMPS	Materials Project
V4O8	2	P-1	-P 1	Triclinic	1.25240 eV	CIF | POSCAR | LAMMPS	Materials Project
V10O18	1	P1	P 1	Triclinic	0.75700 eV	CIF | POSCAR | LAMMPS	Materials Project
V2O4	12	C2/m	-C 2y	Monoclinic	1.06770 eV	CIF | POSCAR | LAMMPS	Materials Project
V4O8	141	I41/amd	I 4bw 2bw -1bw	Tetragonal	0.37330 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni6O8	65	Cmmm	-C 2 2	Orthorhombic	0.25110 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo4O8	141	I41/amd	I 4bw 2bw -1bw	Tetragonal	1.38540 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2O4	164	P-3m1	-P 3 2"	Hexagonal	1.11660 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe6O8	216	F-43m	F -4 2 3	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn10O16	12	C2/m	-C 2y	Monoclinic	0.55130 eV	CIF | POSCAR | LAMMPS	Materials Project
V16O32	28	Pma2	P 2 -2a	Orthorhombic	0.79880 eV	CIF | POSCAR | LAMMPS	Materials Project