Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ga2H24N6O6F12	2	P-1	-P 1	Triclinic	5.21620 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Ga2P4H4O18	12	C2/m	-C 2y	Monoclinic	3.98870 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd4Re8H32C8N16O40	14	P21/c	-P 2ybc	Monoclinic	2.76750 eV	CIF | POSCAR | LAMMPS	Materials Project
Li12P12H12O42	166	R-3m	-R 3 2"	Hexagonal	5.27910 eV	CIF | POSCAR | LAMMPS	Materials Project
K8H4I8Cl4O24	29	Pca21	P 2c -2ac	Orthorhombic	3.05130 eV	CIF | POSCAR | LAMMPS	Materials Project
K8In8P8H4O40	19	P212121	P 2ac 2ab	Orthorhombic	0.13490 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2H8Se4O14	2	P-1	-P 1	Triclinic	4.15840 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Ca4P12H24O48	14	P21/c	-P 2ybc	Monoclinic	5.23050 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4P4H24N4O20	14	P21/c	-P 2ybc	Monoclinic	0.04420 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H8Rh2O18	5	C2	C 2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4B12H52O48	14	P21/c	-P 2ybc	Monoclinic	5.21960 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg12B44H36O96	60	Pbcn	-P 2n 2ab	Orthorhombic	3.90050 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H8Pb2O16	2	P-1	-P 1	Triclinic	0.53020 eV	CIF | POSCAR | LAMMPS	Materials Project
In4H20N8F8	14	P21/c	-P 2ybc	Monoclinic	3.50320 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs8Mg4H32C8O40	61	Pbca	-P 2ac 2ab	Orthorhombic	4.65380 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4Ca4P8H8O32	14	P21/c	-P 2ybc	Monoclinic	5.32700 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4H20S8O36	14	P21/c	-P 2ybc	Monoclinic	0.87410 eV	CIF | POSCAR | LAMMPS	Materials Project
Tb4H48S8N4O48	14	P21/c	-P 2ybc	Monoclinic	5.15680 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Zn4H16O16	14	P21/c	-P 2ybc	Monoclinic	3.08350 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg2H24N4O24	14	P21/c	-P 2ybc	Monoclinic	3.50980 eV	CIF | POSCAR | LAMMPS	Materials Project