Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na5Te2H36Au1O28	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Na5H29I2O24	2	P-1	-P 1	Triclinic	1.80010 eV	CIF | POSCAR | LAMMPS	Materials Project
B20H48C8N4O40	15	C2/c	-C 2yc	Monoclinic	5.69130 eV	CIF | POSCAR | LAMMPS	Materials Project
Be4H56I16O72	62	Pnma	-P 2ac 2n	Orthorhombic	3.31770 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2H12C8O14	2	P-1	-P 1	Triclinic	2.64830 eV	CIF | POSCAR | LAMMPS	Materials Project
K4P4H4O14	2	P-1	-P 1	Triclinic	3.04130 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Cu2P12H16O44	14	P21/c	-P 2ybc	Monoclinic	0.59590 eV	CIF | POSCAR | LAMMPS	Materials Project
Re20H16C80O80	14	P21/c	-P 2ybc	Monoclinic	2.40200 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Al4H24O8F24	205	Pa-3	-P 2ac 2ab 3	Cubic	6.97660 eV	CIF | POSCAR | LAMMPS	Materials Project
La2P6H6O20	2	P-1	-P 1	Triclinic	0.65660 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb8S76F48	14	P21/c	-P 2ybc	Monoclinic	1.97120 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Li6P12H48O60	167	R-3c	-R 3 2"c	Hexagonal	5.12910 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2Zn6P8H28O36	15	C2/c	-C 2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr4Zn2H12O12	14	P21/c	-P 2ybc	Monoclinic	2.72270 eV	CIF | POSCAR | LAMMPS	Materials Project
K12Bi2H6Cl16F8	194	P63/mmc	-P 6c 2c	Hexagonal	4.16980 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr40P24Br2O96F6	143	P3	P 3	Hexagonal	4.69940 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn2In2H28O14F10	2	P-1	-P 1	Triclinic	4.10990 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4Ca2H16N24O8	68	Ccca	C 2 2 -1bc	Orthorhombic	4.35260 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2As6H4O18	2	P-1	-P 1	Triclinic	2.62720 eV	CIF | POSCAR | LAMMPS	Materials Project
H32N8F8	161	R3c	R 3 -2"c	Hexagonal	6.17960 eV	CIF | POSCAR | LAMMPS	Materials Project