Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Cu4H32C4N20Cl12	14	P21/c	-P 2ybc	Monoclinic	0.25870 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4H96Ru4S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	1.89320 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4P12H64N12O48	14	P21/c	-P 2ybc	Monoclinic	3.71330 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr2Zn2H12O10	2	P-1	-P 1	Triclinic	3.63720 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba14Cu6H34	159	P31c	P 3 -2c	Hexagonal	1.45940 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6Be4P8H20O40	14	P21/c	-P 2ybc	Monoclinic	5.18490 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Cu10H16Cl16O12	14	P21/c	-P 2ybc	Monoclinic	0.20890 eV	CIF | POSCAR | LAMMPS	Materials Project
Ge4H48N16F32	56	Pccn	-P 2ab 2ac	Orthorhombic	2.47040 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs4B24H32O28	14	P21/c	-P 2ybc	Monoclinic	2.09130 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4As28H96C32N12	14	P21/c	-P 2ybc	Monoclinic	0.40090 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr8H44N8O6F40	9	Cc	C -2yc	Monoclinic	1.69740 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn4P4H2N2O16	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4Al2H22C1O20	1	P1	P 1	Triclinic	0.00730 eV	CIF | POSCAR | LAMMPS	Materials Project
Pr2H40S8N10O32	15	C2/c	-C 2yc	Monoclinic	5.20260 eV	CIF | POSCAR | LAMMPS	Materials Project
P8H56N16O24	14	P21/c	-P 2ybc	Monoclinic	4.58740 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg2H48C12N24Cl4O24	14	P21/c	-P 2ybc	Monoclinic	5.46370 eV	CIF | POSCAR | LAMMPS	Materials Project
K24P24H32O88	61	Pbca	-P 2ac 2ab	Orthorhombic	5.30060 eV	CIF | POSCAR | LAMMPS	Materials Project
H88C40O12	43	Fdd2	F 2 -2d	Orthorhombic	5.28400 eV	CIF | POSCAR | LAMMPS	Materials Project
H18C4N22O16	15	C2/c	-C 2yc	Monoclinic	2.75210 eV	CIF | POSCAR | LAMMPS	Materials Project
H2Os12C36S4O38	2	P-1	-P 1	Triclinic	1.48330 eV	CIF | POSCAR | LAMMPS	Materials Project