Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Li3Cr13Ni3S24O96	1	P1	P 1	Triclinic	2.26590 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs1V1H12C4O14	5	C2	C 2y	Monoclinic	2.56600 eV	CIF | POSCAR | LAMMPS	Materials Project
Ti6V4O18	15	C2/c	-C 2yc	Monoclinic	0.77830 eV	CIF | POSCAR | LAMMPS	Materials Project
Na3Cr1H14C6O16	2	P-1	-P 1	Triclinic	3.59700 eV	CIF | POSCAR | LAMMPS	Materials Project
V2H20S2O20	31	Pmn21	P 2ac -2	Orthorhombic	3.10140 eV	CIF | POSCAR | LAMMPS	Materials Project
V4Ni2H16O20	15	C2/c	-C 2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4H26C12N2Cl4O22	9	Cc	C -2yc	Monoclinic	2.30560 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2H32C6N16O14	9	Cc	C -2yc	Monoclinic	2.94040 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca14La6Ti10Cr10O60	6	Pm	P -2y	Monoclinic	0.02590 eV	CIF | POSCAR | LAMMPS	Materials Project
Ti2Mn2Fe2P6O24	161	R3c	R 3 -2"c	Hexagonal	2.32240 eV	CIF | POSCAR | LAMMPS	Materials Project
Co6H6C6O18	2	P-1	-P 1	Triclinic	1.31560 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H18C6N12	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Mn4H32S8O48	15	C2/c	-C 2yc	Monoclinic	4.61280 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr8Mg3Fe1Mo4O24	87	I4/m	-I 4	Tetragonal	0.00130 eV	CIF | POSCAR | LAMMPS	Materials Project
Na12Cr4H40C24O68	15	C2/c	-C 2yc	Monoclinic	3.23990 eV	CIF | POSCAR | LAMMPS	Materials Project
V1H12C2S2O12F6	12	C2/m	-C 2y	Monoclinic	2.42260 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4H48N12F24	19	P212121	P 2ac 2ab	Orthorhombic	4.17080 eV	CIF | POSCAR | LAMMPS	Materials Project
K1Sr3La8Mn12O36	3	P2	P 2y	Monoclinic	0.00690 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo12H32C16S4N8Cl24O28	14	P21/c	-P 2ybc	Monoclinic	1.14480 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca16La4Ti10Cr10O60	2	P-1	-P 1	Triclinic	0.49890 eV	CIF | POSCAR | LAMMPS	Materials Project