Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ca2H32C8N20O20	14	P21/c	-P 2ybc	Monoclinic	3.35340 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn8As4H4O20	58	Pnnm	-P 2 2n	Orthorhombic	1.95750 eV	CIF | POSCAR | LAMMPS	Materials Project
H24C12N16O12	15	C2/c	-C 2yc	Monoclinic	3.32210 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4H16C4S4N4O8	15	C2/c	-C 2yc	Monoclinic	3.99440 eV	CIF | POSCAR | LAMMPS	Materials Project
H24Pd2I16N8	11	P21/m	-P 2yb	Monoclinic	1.24560 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2B2H16O14	2	P-1	-P 1	Triclinic	3.87570 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs2H14C8O20	2	P-1	-P 1	Triclinic	3.23580 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu2H36C8N20Cl4O4	2	P-1	-P 1	Triclinic	0.00620 eV	CIF | POSCAR | LAMMPS	Materials Project
Al3H54C3S6N9O42	157	P31m	P 3 -2	Hexagonal	5.28420 eV	CIF | POSCAR | LAMMPS	Materials Project
B24H24O48	218	P-43n	P -4n 2 3	Cubic	7.07390 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2B4H16O16	2	P-1	-P 1	Triclinic	5.41760 eV	CIF | POSCAR | LAMMPS	Materials Project
Al4P8H20O36	14	P21/c	-P 2ybc	Monoclinic	5.52860 eV	CIF | POSCAR | LAMMPS	Materials Project
H16C4S4N8	26	Pmc21	P 2c -2	Orthorhombic	3.28510 eV	CIF | POSCAR | LAMMPS	Materials Project
K8B16H32O44	19	P212121	P 2ac 2ab	Orthorhombic	5.20110 eV	CIF | POSCAR | LAMMPS	Materials Project
B20H16N4O40	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4Fe12Si8H4O36	14	P21/c	-P 2ybc	Monoclinic	1.39440 eV	CIF | POSCAR | LAMMPS	Materials Project
Co3P4O14	2	P-1	-P 1	Triclinic	0.21880 eV	CIF | POSCAR | LAMMPS	Materials Project
Si4Cu4H48O24F24	148	R-3	-R 3	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K8P8H12O30	15	C2/c	-C 2yc	Monoclinic	5.19580 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Al2Si6O16	2	P-1	-P 1	Triclinic	0.34630 eV	CIF | POSCAR | LAMMPS	Materials Project