Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
In8P8H32N8O40	96	P43212	P 4nw 2abw	Tetragonal	0.21160 eV	CIF | POSCAR | LAMMPS	Materials Project
Re2H44C8S8N16Cl16O6	63	Cmcm	-C 2c 2	Orthorhombic	1.44900 eV	CIF | POSCAR | LAMMPS	Materials Project
H32C8S12N8O24	13	P2/c	-P 2yc	Monoclinic	5.79140 eV	CIF | POSCAR | LAMMPS	Materials Project
Li8B8H16C32O72	61	Pbca	-P 2ac 2ab	Orthorhombic	3.35100 eV	CIF | POSCAR | LAMMPS	Materials Project
H12Os16C48Cl4O48	14	P21/c	-P 2ybc	Monoclinic	2.57690 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg4H72C16S4N32O36	14	P21/c	-P 2ybc	Monoclinic	5.15630 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr2Cd4H24O12F16	15	C2/c	-C 2yc	Monoclinic	4.49230 eV	CIF | POSCAR | LAMMPS	Materials Project
Na12H4S8O32	1	P1	P 1	Triclinic	5.16090 eV	CIF | POSCAR | LAMMPS	Materials Project
B20H8Pb8O44	14	P21/c	-P 2ybc	Monoclinic	0.91700 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4Zn8H64O44	14	P21/c	-P 2ybc	Monoclinic	0.19560 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn4P8H44C8N4O32	9	Cc	C -2yc	Monoclinic	4.49960 eV	CIF | POSCAR | LAMMPS	Materials Project
Ru16C48N8O52	2	P-1	-P 1	Triclinic	1.57000 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Li28H64N32	88	I41/a	I 4bw -1bw	Tetragonal	2.62140 eV	CIF | POSCAR | LAMMPS	Materials Project
P2H18C4N8O10	2	P-1	-P 1	Triclinic	4.90330 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2H24C4N12Cl8	2	P-1	-P 1	Triclinic	4.68860 eV	CIF | POSCAR | LAMMPS	Materials Project
K4B12H24O32	15	C2/c	-C 2yc	Monoclinic	4.00190 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4H88C32N40O4	15	C2/c	-C 2yc	Monoclinic	0.00140 eV	CIF | POSCAR | LAMMPS	Materials Project
K4H8Se4N4O12	14	P21/c	-P 2ybc	Monoclinic	3.64770 eV	CIF | POSCAR | LAMMPS	Materials Project
Al6P6O24	2	P-1	-P 1	Triclinic	5.54060 eV	CIF | POSCAR | LAMMPS	Materials Project
Y8H18N2O26	4	P21	P 2yb	Monoclinic	3.34050 eV	CIF | POSCAR | LAMMPS	Materials Project