Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na8H24Pt4C16N16O12	2	P-1	-P 1	Triclinic	2.45150 eV	CIF | POSCAR | LAMMPS	Materials Project
Na16P8H40O48	61	Pbca	-P 2ac 2ab	Orthorhombic	4.72430 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Ca4H24N12	14	P21/c	-P 2ybc	Monoclinic	2.19930 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb4H12S4O24	14	P21/c	-P 2ybc	Monoclinic	4.40050 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H44N12Cl20	62	Pnma	-P 2ac 2n	Orthorhombic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
H36C4S4O28F12	14	P21/c	-P 2ybc	Monoclinic	5.84260 eV	CIF | POSCAR | LAMMPS	Materials Project
H52Cl4O24	57	Pbcm	-P 2c 2b	Orthorhombic	4.93500 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4Cd2H48Cl12O24	14	P21/c	-P 2ybc	Monoclinic	4.24190 eV	CIF | POSCAR | LAMMPS	Materials Project
H48C16N8O36	62	Pnma	-P 2ac 2n	Orthorhombic	3.22450 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H20N4O16	14	P21/c	-P 2ybc	Monoclinic	5.69950 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4Cu2H24S4O28	14	P21/c	-P 2ybc	Monoclinic	0.82620 eV	CIF | POSCAR | LAMMPS	Materials Project
Re4H88C16S16N32Cl32O12	62	Pnma	-P 2ac 2n	Orthorhombic	1.34860 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2B16H16N8	137	P42/nmc	P 4n 2n -1n	Tetragonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6H12S4N2O20	36	Cmc21	C 2c -2	Orthorhombic	3.76350 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2H16Pt2C8N8O8	15	C2/c	-C 2yc	Monoclinic	1.50120 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Zn4H16Br12O8	14	P21/c	-P 2ybc	Monoclinic	3.68050 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Te4H8O14	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Re4H48C8S8N16Cl20O12	14	P21/c	-P 2ybc	Monoclinic	0.64340 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Ca8Lu4Si8O28F8	1	P1	P 1	Triclinic	1.20630 eV	CIF | POSCAR | LAMMPS	Materials Project
Al8H72S4O60	14	P21/c	-P 2ybc	Monoclinic	0.52520 eV	CIF | POSCAR | LAMMPS	Materials Project