Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Zn2H32C6N16O14	9	Cc	C -2yc	Monoclinic	4.79050 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg4H12C4S4O12	15	C2/c	-C 2yc	Monoclinic	2.80540 eV	CIF | POSCAR | LAMMPS	Materials Project
Nd2H64C16N8Cl14	18	P21212	P 2 2ab	Orthorhombic	4.72930 eV	CIF | POSCAR | LAMMPS	Materials Project
Sm4P8H36O44	14	P21/c	-P 2ybc	Monoclinic	5.05680 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4Ga4H96S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	5.23730 eV	CIF | POSCAR | LAMMPS	Materials Project
Ag4B40H104C24N4	14	P21/c	-P 2ybc	Monoclinic	3.88640 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Zn8P16H8Cl8O56	92	P41212	P 4abw 2nw	Tetragonal	3.71140 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Bi4H84C36I18N12O18	2	P-1	-P 1	Triclinic	0.41450 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba42Pd9Ir24O99	5	C2	C 2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ag16Te4Cl8O24	198	P213	P 2ac 2ab 3	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
U4H64C16N16O48	14	P21/c	-P 2ybc	Monoclinic	1.97010 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Gd2H12C12O30	2	P-1	-P 1	Triclinic	2.97340 eV	CIF | POSCAR | LAMMPS	Materials Project
Sn8H40C16N8O36F8	14	P21/c	-P 2ybc	Monoclinic	2.48310 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6H18C12O24	2	P-1	-P 1	Triclinic	4.63760 eV	CIF | POSCAR | LAMMPS	Materials Project
H40C16N8O24	15	C2/c	-C 2yc	Monoclinic	4.77080 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4H36C16S16N4	2	P-1	-P 1	Triclinic	0.00630 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr4H108C32N8Cl20O8	19	P212121	P 2ac 2ab	Orthorhombic	3.92600 eV	CIF | POSCAR | LAMMPS	Materials Project
K10Y2H16C16O32	15	C2/c	-C 2yc	Monoclinic	4.41540 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb2H48C12N6Cl12	2	P-1	-P 1	Triclinic	3.59560 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4H76C24I12N8	14	P21/c	-P 2ybc	Monoclinic	2.42700 eV	CIF | POSCAR | LAMMPS	Materials Project