Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Cu8H8Se8O28	14	P21/c	-P 2ybc	Monoclinic	0.19650 eV	CIF | POSCAR | LAMMPS	Materials Project
B4H40C8N20O12	19	P212121	P 2ac 2ab	Orthorhombic	4.53770 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4Sr4P12H24O48	62	Pnma	-P 2ac 2n	Orthorhombic	5.32960 eV	CIF | POSCAR | LAMMPS	Materials Project
H32C8N24O12	14	P21/c	-P 2ybc	Monoclinic	3.46020 eV	CIF | POSCAR | LAMMPS	Materials Project
H36C8N28O24	29	Pca21	P 2c -2ac	Orthorhombic	3.30530 eV	CIF | POSCAR | LAMMPS	Materials Project
Al8Si12H12O48	4	P21	P 2yb	Monoclinic	0.00240 eV	CIF | POSCAR | LAMMPS	Materials Project
Na12Y4H24C12O48	33	Pna21	P 2c -2n	Orthorhombic	4.88900 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2H10S6O24	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Be4H32I8O40	56	Pccn	-P 2ab 2ac	Orthorhombic	3.88990 eV	CIF | POSCAR | LAMMPS	Materials Project
Sm2H24N6O30	2	P-1	-P 1	Triclinic	0.12930 eV	CIF | POSCAR | LAMMPS	Materials Project
Ce4H32S6O40	15	C2/c	-C 2yc	Monoclinic	1.23670 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Cd4P12H32O52	2	P-1	-P 1	Triclinic	4.41160 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Al8P16H32O72	14	P21/c	-P 2ybc	Monoclinic	5.23670 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb6P6H8O24	2	P-1	-P 1	Triclinic	1.08400 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca19Mg8H54	204	Im-3	-I 2 2 3	Cubic	2.78860 eV	CIF | POSCAR | LAMMPS	Materials Project
Pr4P8H28O28	19	P212121	P 2ac 2ab	Orthorhombic	5.23320 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2H24C12S4N20O4	15	C2/c	-C 2yc	Monoclinic	3.77950 eV	CIF | POSCAR | LAMMPS	Materials Project
H4Pb8C2Cl12O8	11	P21/m	-P 2yb	Monoclinic	3.55000 eV	CIF | POSCAR | LAMMPS	Materials Project
Co8H16S32N32	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr16P16H16O64	61	Pbca	-P 2ac 2ab	Orthorhombic	5.20090 eV	CIF | POSCAR | LAMMPS	Materials Project