Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Mn4Cu4H40Se8Cl8O40	62	Pnma	-P 2ac 2n	Orthorhombic	0.23240 eV	CIF | POSCAR | LAMMPS	Materials Project
Co6P6H18O30	1	P1	P 1	Triclinic	0.12620 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2Cr2H56C12N24Cl10O16	2	P-1	-P 1	Triclinic	3.43580 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Fe12P8H32O56	92	P41212	P 4abw 2nw	Tetragonal	2.25880 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2Co6H48C12N60O66	148	R-3	-R 3	Hexagonal	0.07310 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H48N12O20F8	19	P212121	P 2ac 2ab	Orthorhombic	2.70160 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H60N28Cl4O20	33	Pna21	P 2c -2n	Orthorhombic	0.73220 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn9Al2Si8H8O32	2	P-1	-P 1	Triclinic	3.01650 eV	CIF | POSCAR | LAMMPS	Materials Project
V8P8H16O44	14	P21/c	-P 2ybc	Monoclinic	1.70570 eV	CIF | POSCAR | LAMMPS	Materials Project
Na1Mn6Al3H42S2O38	148	R-3	-R 3	Hexagonal	2.89480 eV	CIF | POSCAR | LAMMPS	Materials Project
Li2V10H36N4O38	2	P-1	-P 1	Triclinic	2.46210 eV	CIF | POSCAR | LAMMPS	Materials Project
Co8H8Ru8C48O48	14	P21/c	-P 2ybc	Monoclinic	2.23210 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn7P6H4O24	2	P-1	-P 1	Triclinic	3.20950 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4Fe4H56O28F20	15	C2/c	-C 2yc	Monoclinic	0.12250 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4Ru4H64N40Cl4O40	14	P21/c	-P 2ybc	Monoclinic	2.16150 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Fe8P24H56O104	60	Pbcn	-P 2n 2ab	Orthorhombic	2.68020 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo8H96N24O24F40	61	Pbca	-P 2ac 2ab	Orthorhombic	2.56570 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H20S2O18	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4V4H96S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	2.67600 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2H48C4S4N12O28	14	P21/c	-P 2ybc	Monoclinic	4.96250 eV	CIF | POSCAR | LAMMPS	Materials Project