Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
V2Bi4O11	1	P1	P 1	Triclinic	2.49680 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4Tl4H8O4F16	15	C2/c	-C 2yc	Monoclinic	1.66290 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn1Fe2Sb2P6O24	148	R-3	-R 3	Hexagonal	2.67850 eV	CIF | POSCAR | LAMMPS	Materials Project
Li2Ti4Ni1P4O20	2	P-1	-P 1	Triclinic	2.94290 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4H8Se8O32	14	P21/c	-P 2ybc	Monoclinic	2.11180 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4H24O12F12	14	P21/c	-P 2ybc	Monoclinic	1.59100 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn8Si4H16O24	29	Pca21	P 2c -2ac	Orthorhombic	2.29900 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn4Fe2P4H16O24	14	P21/c	-P 2ybc	Monoclinic	3.15050 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Ba4Fe8P12O48	198	P213	P 2ac 2ab 3	Cubic	2.53980 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Li2Mn8Mo12O48	161	R3c	R 3 -2"c	Hexagonal	3.07860 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca12Hf8Fe8Si4O48	142	I41/acd	I 4bw 2aw -1bw	Tetragonal	2.80590 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe1H12C2S2O12F6	12	C2/m	-C 2y	Monoclinic	4.07720 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr2Co2Bi2Ru2O12	7	Pc	P -2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H16N4O12	57	Pbcm	-P 2c 2b	Orthorhombic	3.23190 eV	CIF | POSCAR | LAMMPS	Materials Project
Ti2Mn2Cr2P6O24	161	R3c	R 3 -2"c	Hexagonal	2.30070 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2Fe3Sb1P6O24	146	R3	R 3	Hexagonal	2.18640 eV	CIF | POSCAR | LAMMPS	Materials Project
H12W1N3O3F3	1	P1	P 1	Triclinic	3.65720 eV	CIF | POSCAR | LAMMPS	Materials Project
V4P4H16O24	14	P21/c	-P 2ybc	Monoclinic	1.95360 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo2H16N4O10F4	2	P-1	-P 1	Triclinic	2.70420 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn3H24O12F8	2	P-1	-P 1	Triclinic	0.98210 eV	CIF | POSCAR | LAMMPS	Materials Project