Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Al8H80S8O72F8	61	Pbca	-P 2ac 2ab	Orthorhombic	5.45920 eV	CIF | POSCAR | LAMMPS	Materials Project
Na10H6C8O24	2	P-1	-P 1	Triclinic	4.90550 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4P8H16O24	14	P21/c	-P 2ybc	Monoclinic	0.30100 eV	CIF | POSCAR | LAMMPS	Materials Project
Li8B8H16O8F32	52	Pnna	-P 2a 2bc	Orthorhombic	7.12900 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2U4Si4H24O34	4	P21	P 2yb	Monoclinic	1.93070 eV	CIF | POSCAR | LAMMPS	Materials Project
P6H24N6O19	148	R-3	-R 3	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Al8P8H20O44	19	P212121	P 2ac 2ab	Orthorhombic	5.08790 eV	CIF | POSCAR | LAMMPS	Materials Project
U4P12H40Cl4O32	57	Pbcm	-P 2c 2b	Orthorhombic	0.37830 eV	CIF | POSCAR | LAMMPS	Materials Project
H6Ru6Rh2C24O24	2	P-1	-P 1	Triclinic	2.46210 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca7Si6H4C1O23	8	Cm	C -2y	Monoclinic	4.58110 eV	CIF | POSCAR | LAMMPS	Materials Project
Li12H24Rh4	62	Pnma	-P 2ac 2n	Orthorhombic	2.42520 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4Na8H60O36	29	Pca21	P 2c -2ac	Orthorhombic	4.74810 eV	CIF | POSCAR | LAMMPS	Materials Project
K24P12H12O48	33	Pna21	P 2c -2n	Orthorhombic	4.53250 eV	CIF | POSCAR | LAMMPS	Materials Project
B32H40N4	14	P21/c	-P 2ybc	Monoclinic	0.46860 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb4H4C8N4Cl44	14	P21/c	-P 2ybc	Monoclinic	1.99220 eV	CIF | POSCAR | LAMMPS	Materials Project
Sm4H20Se8O32	19	P212121	P 2ac 2ab	Orthorhombic	4.43200 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Ti2Si8H8O26	14	P21/c	-P 2ybc	Monoclinic	3.25650 eV	CIF | POSCAR | LAMMPS	Materials Project
Ti4H8N8O4F16	11	P21/m	-P 2yb	Monoclinic	0.00500 eV	CIF | POSCAR | LAMMPS	Materials Project
Pr8H8Se16O48	29	Pca21	P 2c -2ac	Orthorhombic	3.53090 eV	CIF | POSCAR | LAMMPS	Materials Project
Tl6Cu6H6C6O24	176	P63/m	-P 6c	Hexagonal	0.38270 eV	CIF | POSCAR | LAMMPS	Materials Project