Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
K8Mo4H8S8O36	15	C2/c	-C 2yc	Monoclinic	2.99410 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H16N4O8	12	C2/m	-C 2y	Monoclinic	2.92170 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H28N8O20	62	Pnma	-P 2ac 2n	Orthorhombic	2.50290 eV	CIF | POSCAR | LAMMPS	Materials Project
K2V10Zn2H32O44	2	P-1	-P 1	Triclinic	0.10910 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb2V2H8O4F8	15	C2/c	-C 2yc	Monoclinic	2.54470 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Fe4H32S8O48	14	P21/c	-P 2ybc	Monoclinic	4.57860 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe12P8H34O54	15	C2/c	-C 2yc	Monoclinic	1.52360 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca18La2Ti8Mn12O60	1	P1	P 1	Triclinic	0.03020 eV	CIF | POSCAR | LAMMPS	Materials Project
Al9Fe2Si4H1O24	12	C2/m	-C 2y	Monoclinic	3.65310 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni4H72C16S24N32O16	19	P212121	P 2ac 2ab	Orthorhombic	2.52810 eV	CIF | POSCAR | LAMMPS	Materials Project
Co8H84S12N24O48	14	P21/c	-P 2ybc	Monoclinic	0.33960 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Fe2H8S4O20	1	P1	P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca5Gd3Ti5Mn3O24	1	P1	P 1	Triclinic	0.96260 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo12H40Cl28O18	15	C2/c	-C 2yc	Monoclinic	1.04890 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H64C16N28O28	14	P21/c	-P 2ybc	Monoclinic	2.44840 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn10P8H20O40	15	C2/c	-C 2yc	Monoclinic	3.18740 eV	CIF | POSCAR | LAMMPS	Materials Project
Y4Ni4H12S4O28	62	Pnma	-P 2ac 2n	Orthorhombic	4.13850 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo16H64O80	14	P21/c	-P 2ybc	Monoclinic	1.71080 eV	CIF | POSCAR | LAMMPS	Materials Project
Co12C28S8O28	2	P-1	-P 1	Triclinic	1.71420 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn6P6H12C24O24	13	P2/c	-P 2yc	Monoclinic	3.15600 eV	CIF | POSCAR | LAMMPS	Materials Project