Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Co2H2O4	194	P63/mmc	-P 6c 2c	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2P2H12N2O10	31	Pmn21	P 2ac -2	Orthorhombic	2.83790 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn2P2H12N2O10	31	Pmn21	P 2ac -2	Orthorhombic	3.06390 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Fe2H8S4O20	2	P-1	-P 1	Triclinic	4.25470 eV	CIF | POSCAR | LAMMPS	Materials Project
K1Ni1H9C2O10	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2H4C8N8Cl12O2	32	Pba2	P 2 -2ab	Orthorhombic	0.31160 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Fe4H6S4O16	2	P-1	-P 1	Triclinic	0.28050 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe6H8S8O36	14	P21/c	-P 2ybc	Monoclinic	1.18430 eV	CIF | POSCAR | LAMMPS	Materials Project
V8Zn16H8O40	62	Pnma	-P 2ac 2n	Orthorhombic	2.79720 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6La2Mn7Cr1O24	2	P-1	-P 1	Triclinic	0.05330 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca8Y4Fe16Sb4O48	2	P-1	-P 1	Triclinic	1.66570 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca5La7Mn7Ru5O36	1	P1	P 1	Triclinic	0.00670 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr4Fe4F6	8	Cm	C -2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K2Zn1Cr4H4O16	2	P-1	-P 1	Triclinic	2.58660 eV	CIF | POSCAR | LAMMPS	Materials Project
Ti2Mn2O6	2	P-1	-P 1	Triclinic	1.22890 eV	CIF | POSCAR | LAMMPS	Materials Project
V2H4Se2O10	2	P-1	-P 1	Triclinic	2.22270 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg1Co1H16Cl4O8	2	P-1	-P 1	Triclinic	3.00510 eV	CIF | POSCAR | LAMMPS	Materials Project
V4P4H20N4O24	29	Pca21	P 2c -2ac	Orthorhombic	2.35920 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr2La2Mn2Sb2O12	7	Pc	P -2yc	Monoclinic	1.84240 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2Cd1H14N4O8	12	C2/m	-C 2y	Monoclinic	2.77140 eV	CIF | POSCAR | LAMMPS	Materials Project