Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na4P2H22O16	31	Pmn21	P 2ac -2	Orthorhombic	5.26230 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6H48Cl12O24	14	P21/c	-P 2ybc	Monoclinic	5.18350 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb8H24Se16O48	19	P212121	P 2ac 2ab	Orthorhombic	3.78850 eV	CIF | POSCAR | LAMMPS	Materials Project
Na12B12H8O28	62	Pnma	-P 2ac 2n	Orthorhombic	4.54390 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca8H32N8Cl8O40	61	Pbca	-P 2ac 2ab	Orthorhombic	3.56390 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8B20H20O44	33	Pna21	P 2c -2n	Orthorhombic	4.96270 eV	CIF | POSCAR | LAMMPS	Materials Project
H32N8Cl8O40	33	Pna21	P 2c -2n	Orthorhombic	5.49230 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4B12H16O28	15	C2/c	-C 2yc	Monoclinic	5.35180 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Zr4Si12H8O40	19	P212121	P 2ac 2ab	Orthorhombic	4.93280 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H36N8O16	14	P21/c	-P 2ybc	Monoclinic	4.89950 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Al2Si6Cl1O24	1	P1	P 1	Triclinic	0.06150 eV	CIF | POSCAR | LAMMPS	Materials Project
Yb5Na7Li4C12O37	8	Cm	C -2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs3Mg3In1P12O36	8	Cm	C -2y	Monoclinic	4.66570 eV	CIF | POSCAR | LAMMPS	Materials Project
Na10Zn7Sn7H24S26O12	146	R3	R 3	Hexagonal	1.93070 eV	CIF | POSCAR | LAMMPS	Materials Project
Na16Ca4Ta16Ti4O60	1	P1	P 1	Triclinic	2.16070 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8U8H8O8F40	60	Pbcn	-P 2n 2ab	Orthorhombic	0.00820 eV	CIF | POSCAR | LAMMPS	Materials Project
Na1Ca9Sc1Zn9Si20O60	5	C2	C 2y	Monoclinic	4.09470 eV	CIF | POSCAR | LAMMPS	Materials Project
K6H4S4N2O14	2	P-1	-P 1	Triclinic	2.17600 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr4H48I6N18	194	P63/mmc	-P 6c 2c	Hexagonal	1.76470 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2Mg2B12H44O44	15	C2/c	-C 2yc	Monoclinic	4.95610 eV	CIF | POSCAR | LAMMPS	Materials Project