Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Sr4Mo4As4H12O32	15	C2/c	-C 2yc	Monoclinic	2.93420 eV	CIF | POSCAR | LAMMPS	Materials Project
K9Mg3Nb5P8O40	1	P1	P 1	Triclinic	0.04710 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb8Fe4H8C20N24O8	15	C2/c	-C 2yc	Monoclinic	2.78140 eV	CIF | POSCAR | LAMMPS	Materials Project
K2Fe4H2Se8O24	3	P2	P 2y	Monoclinic	2.25870 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4V8P12H4O48	14	P21/c	-P 2ybc	Monoclinic	1.51890 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Mo6H8O34	2	P-1	-P 1	Triclinic	2.44220 eV	CIF | POSCAR | LAMMPS	Materials Project
K16H16W4C32N32O8	62	Pnma	-P 2ac 2n	Orthorhombic	3.02120 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr4Co8H8Se16O48	13	P2/c	-P 2yc	Monoclinic	2.61260 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2H20Se4O20	15	C2/c	-C 2yc	Monoclinic	3.14810 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2H32C8N16Cl4O8	14	P21/c	-P 2ybc	Monoclinic	1.01280 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H88S8N20O36	19	P212121	P 2ac 2ab	Orthorhombic	0.43990 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca8Mn12P12H24O68	14	P21/c	-P 2ybc	Monoclinic	0.07570 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe8As20Pb2O44	2	P-1	-P 1	Triclinic	1.76540 eV	CIF | POSCAR | LAMMPS	Materials Project
K2Fe6P16H44O72	15	C2/c	-C 2yc	Monoclinic	2.80090 eV	CIF | POSCAR | LAMMPS	Materials Project
Yb4V16O32	14	P21/c	-P 2ybc	Monoclinic	0.89610 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4Na4Fe16P24H12O100	14	P21/c	-P 2ybc	Monoclinic	0.57440 eV	CIF | POSCAR | LAMMPS	Materials Project
Li14Mn22Cr3Cu3O56	8	Cm	C -2y	Monoclinic	0.01360 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Ca29Zr1Si16O56F16	1	P1	P 1	Triclinic	2.30140 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe3Pb8F24	2	P-1	-P 1	Triclinic	1.67960 eV	CIF | POSCAR | LAMMPS	Materials Project
K5Li10Al5Si20O50F10	2	P-1	-P 1	Triclinic	0.01960 eV	CIF | POSCAR | LAMMPS	Materials Project