Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ca4Mg2B4H32C4O36	14	P21/c	-P 2ybc	Monoclinic	4.76950 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Na6Te2P12H12O48	15	C2/c	-C 2yc	Monoclinic	3.17630 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Pr8H12S16O72	14	P21/c	-P 2ybc	Monoclinic	5.31740 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4H32Cl8O40	61	Pbca	-P 2ac 2ab	Orthorhombic	4.07350 eV	CIF | POSCAR | LAMMPS	Materials Project
La4H48S8N4O48	14	P21/c	-P 2ybc	Monoclinic	1.66990 eV	CIF | POSCAR | LAMMPS	Materials Project
Dy4P8H36O40	52	Pnna	-P 2a 2bc	Orthorhombic	2.55710 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Cu1H20C12N12O18	2	P-1	-P 1	Triclinic	0.87970 eV	CIF | POSCAR | LAMMPS	Materials Project
H26Se4N6O16	9	Cc	C -2yc	Monoclinic	0.00230 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Zn2H18O12	2	P-1	-P 1	Triclinic	3.48010 eV	CIF | POSCAR | LAMMPS	Materials Project
H36Se6N8O24	2	P-1	-P 1	Triclinic	1.12930 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb24H12C4Cl52O40	14	P21/c	-P 2ybc	Monoclinic	1.50690 eV	CIF | POSCAR | LAMMPS	Materials Project
H30S2O21	8	Cm	C -2y	Monoclinic	0.80250 eV	CIF | POSCAR | LAMMPS	Materials Project
Y1H16C4N9O16	8	Cm	C -2y	Monoclinic	1.95350 eV	CIF | POSCAR | LAMMPS	Materials Project
H40C20S8N8O16F24	14	P21/c	-P 2ybc	Monoclinic	5.81120 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H32C8N4O16	82	I-4	I -4	Tetragonal	5.33010 eV	CIF | POSCAR | LAMMPS	Materials Project
Be4H32Se4O32	64	Cmca	-C 2bc 2	Orthorhombic	3.99640 eV	CIF | POSCAR | LAMMPS	Materials Project
Al8P8H32C8N4O32F4	14	P21/c	-P 2ybc	Monoclinic	5.40010 eV	CIF | POSCAR | LAMMPS	Materials Project
H32C12N16O16	14	P21/c	-P 2ybc	Monoclinic	3.36140 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H48Pd2C24Br4N12	14	P21/c	-P 2ybc	Monoclinic	1.71820 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4H20C4O16	64	Cmca	-C 2bc 2	Orthorhombic	4.81310 eV	CIF | POSCAR | LAMMPS	Materials Project