Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ca2H16Br4O24	2	P-1	-P 1	Triclinic	0.23680 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo24P2H48C12N6O80	166	R-3m	-R 3 2"	Hexagonal	2.32910 eV	CIF | POSCAR | LAMMPS	Materials Project
Co8P8H24O32	29	Pca21	P 2c -2ac	Orthorhombic	2.83620 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba6Mo36O56	4	P21	P 2yb	Monoclinic	0.79680 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2Mo16H72C16N4O64	15	C2/c	-C 2yc	Monoclinic	2.57020 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Ba8Cr16P24O96	4	P21	P 2yb	Monoclinic	2.72490 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H76S12N20O44	14	P21/c	-P 2ybc	Monoclinic	1.38090 eV	CIF | POSCAR | LAMMPS	Materials Project
V2Cu3H6O11	12	C2/m	-C 2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Gd4Mo6O24	113	P-421m	P -4 2ab	Tetragonal	3.23400 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn2P4H16O20	14	P21/c	-P 2ybc	Monoclinic	3.97480 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4Mn2Al4Si6H2O26	11	P21/m	-P 2yb	Monoclinic	1.28880 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr10Fe4Co1Mo5O30	2	P-1	-P 1	Triclinic	0.03640 eV	CIF | POSCAR | LAMMPS	Materials Project
Co6C18Se2O18	2	P-1	-P 1	Triclinic	0.00350 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd8Ni2H40Cl20O20	14	P21/c	-P 2ybc	Monoclinic	3.75640 eV	CIF | POSCAR | LAMMPS	Materials Project
Na1Fe9Si6B3H2O31	8	Cm	C -2y	Monoclinic	0.85080 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H36N24O24	19	P212121	P 2ac 2ab	Orthorhombic	2.69500 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr4H40S4N4O40	14	P21/c	-P 2ybc	Monoclinic	2.28170 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4Fe4H96Se8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	2.91570 eV	CIF | POSCAR | LAMMPS	Materials Project
V2H20S2O20	31	Pmn21	P 2ac -2	Orthorhombic	1.15440 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe6P4H16O24	14	P21/c	-P 2ybc	Monoclinic	3.71330 eV	CIF | POSCAR | LAMMPS	Materials Project