Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Li9Mg12Fe1P12O48	1	P1	P 1	Triclinic	0.83760 eV	CIF | POSCAR | LAMMPS	Materials Project
Dy2Fe2H16C12N12O8	63	Cmcm	-C 2c 2	Orthorhombic	2.65070 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr40Fe18Co2Mo20O120	2	P-1	-P 1	Triclinic	0.05890 eV	CIF | POSCAR | LAMMPS	Materials Project
V8H60N12O48	14	P21/c	-P 2ybc	Monoclinic	0.14900 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Fe4P4O16	62	Pnma	-P 2ac 2n	Orthorhombic	3.29180 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Fe4P4O16	62	Pnma	-P 2ac 2n	Orthorhombic	3.40890 eV	CIF | POSCAR | LAMMPS	Materials Project
V4As6H34C8N16O34	2	P-1	-P 1	Triclinic	2.29690 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni1H44C12N8Cl2O10	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2P6H36C12S12O12	15	C2/c	-C 2yc	Monoclinic	0.16490 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2Pd2H24N8O8	141	I41/amd	I 4bw 2bw -1bw	Tetragonal	2.55210 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Co8As8H4O32	13	P2/c	-P 2yc	Monoclinic	2.00130 eV	CIF | POSCAR | LAMMPS	Materials Project
Y8Cu4H20S8O48F4	14	P21/c	-P 2ybc	Monoclinic	0.25790 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni1H44C12N10O16	2	P-1	-P 1	Triclinic	3.14600 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H88C12N24O32	58	Pnnm	-P 2 2n	Orthorhombic	3.14760 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni8P16H16O56	14	P21/c	-P 2ybc	Monoclinic	4.40500 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4Mn4H96S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	3.50560 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2P4H48C16S8N2Cl2O8	2	P-1	-P 1	Triclinic	1.91000 eV	CIF | POSCAR | LAMMPS	Materials Project
V8H64C16N8O24	2	P-1	-P 1	Triclinic	3.07630 eV	CIF | POSCAR | LAMMPS	Materials Project
K16Mn4H24S16O72	56	Pccn	-P 2ab 2ac	Orthorhombic	4.68000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2P6H12O18	9	Cc	C -2yc	Monoclinic	2.79250 eV	CIF | POSCAR | LAMMPS	Materials Project