Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Cr4P8H56N12O36	14	P21/c	-P 2ybc	Monoclinic	3.76150 eV	CIF | POSCAR | LAMMPS	Materials Project
K4V4H8S4O28	19	P212121	P 2ac 2ab	Orthorhombic	1.94340 eV	CIF | POSCAR | LAMMPS	Materials Project
Co8P8H32Cl8O24	61	Pbca	-P 2ac 2ab	Orthorhombic	3.09000 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn8P4H36C48O36	14	P21/c	-P 2ybc	Monoclinic	2.91040 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2Cr2H30N10Cl8F2	36	Cmc21	C 2c -2	Orthorhombic	3.82460 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2H36C8N16Cl8O8	14	P21/c	-P 2ybc	Monoclinic	2.76300 eV	CIF | POSCAR | LAMMPS	Materials Project
V8P4H40C8N8O32F4	19	P212121	P 2ac 2ab	Orthorhombic	2.75610 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2V3P6H1O22	2	P-1	-P 1	Triclinic	1.94480 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr4Hg4H4O18	15	C2/c	-C 2yc	Monoclinic	2.16690 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg4Mn2H48Cl12O24	159	P31c	P 3 -2c	Hexagonal	4.15120 eV	CIF | POSCAR | LAMMPS	Materials Project
Li9Fe1Co12P12O48	2	P-1	-P 1	Triclinic	0.26580 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn24V4Si20H4O76	14	P21/c	-P 2ybc	Monoclinic	1.86190 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2Mn2Si4H6O17	5	C2	C 2y	Monoclinic	0.16850 eV	CIF | POSCAR | LAMMPS	Materials Project
K2V2H8O14	1	P1	P 1	Triclinic	2.71330 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr16Bi8O58	2	P-1	-P 1	Triclinic	1.66190 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H72C24S4O40	14	P21/c	-P 2ybc	Monoclinic	1.46470 eV	CIF | POSCAR | LAMMPS	Materials Project
Na3Li9Ti6Fe6P18O72	1	P1	P 1	Triclinic	2.22710 eV	CIF | POSCAR | LAMMPS	Materials Project
K12Mn12H8C48O52	14	P21/c	-P 2ybc	Monoclinic	1.88000 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn2H60C16N52O36	2	P-1	-P 1	Triclinic	0.84790 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo4H24N4O12F8	15	C2/c	-C 2yc	Monoclinic	2.78030 eV	CIF | POSCAR | LAMMPS	Materials Project