Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
H36Pt4N8Cl4O8	14	P21/c	-P 2ybc	Monoclinic	2.78880 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb6H72C24I16	220	I-43d	I -4bd 2c 3	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4Mg6H20	12	C2/m	-C 2y	Monoclinic	3.02650 eV	CIF | POSCAR | LAMMPS	Materials Project
H14C6N6O10	15	C2/c	-C 2yc	Monoclinic	4.74050 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4H12S8O32	14	P21/c	-P 2ybc	Monoclinic	5.67120 eV	CIF | POSCAR | LAMMPS	Materials Project
H48Au8Br8N16	62	Pnma	-P 2ac 2n	Orthorhombic	3.73140 eV	CIF | POSCAR | LAMMPS	Materials Project
H32S4N8O24	14	P21/c	-P 2ybc	Monoclinic	5.41040 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4H32O20	15	C2/c	-C 2yc	Monoclinic	3.50720 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu2H12Se4O16	14	P21/c	-P 2ybc	Monoclinic	0.24590 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2Al4Si4H8O20	63	Cmcm	-C 2c 2	Orthorhombic	5.13850 eV	CIF | POSCAR | LAMMPS	Materials Project
K4H12S8O32	14	P21/c	-P 2ybc	Monoclinic	5.59120 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6H6S6O27	5	C2	C 2y	Monoclinic	5.73410 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Na15Tl18H1	200	Pm-3	-P 2 2 3	Cubic	0.05770 eV	CIF | POSCAR | LAMMPS	Materials Project
Tl12Sn4Se16	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb8In8P8H8O40	96	P43212	P 4nw 2abw	Tetragonal	3.36880 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd2Re4H32C8S8N16O16	14	P21/c	-P 2ybc	Monoclinic	2.38990 eV	CIF | POSCAR | LAMMPS	Materials Project
Si24O48	1	P1	P 1	Triclinic	5.59300 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg16Si8H1O32	1	P1	P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Sc2Re8H16N2O40	118	P-4n2	P -4 -2n	Tetragonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H20N8O12	2	P-1	-P 1	Triclinic	2.38060 eV	CIF | POSCAR | LAMMPS	Materials Project