Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ca4Mn2Fe2Si8H10O30	2	P-1	-P 1	Triclinic	0.97060 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4H24O12F12	14	P21/c	-P 2ybc	Monoclinic	1.50920 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe3P1H6Pb1S1O14	160	R3m	R 3 -2"	Hexagonal	1.34770 eV	CIF | POSCAR | LAMMPS	Materials Project
V2P4H12O12	15	C2/c	-C 2yc	Monoclinic	2.88450 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2P2H12N2O10	31	Pmn21	P 2ac -2	Orthorhombic	3.31690 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2Fe3P6H1O22	2	P-1	-P 1	Triclinic	2.53830 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni4H32Cl8O16	14	P21/c	-P 2ybc	Monoclinic	3.96930 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2P2H12N2O10	31	Pmn21	P 2ac -2	Orthorhombic	4.04520 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2V4H4Se8O28	14	P21/c	-P 2ybc	Monoclinic	2.42230 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni1Sn2H12O6F6	2	P-1	-P 1	Triclinic	4.55760 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4H24S4O24	19	P212121	P 2ac 2ab	Orthorhombic	4.31180 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb8Fe4H8Cl20O4	62	Pnma	-P 2ac 2n	Orthorhombic	2.17560 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn8P8H56O56	61	Pbca	-P 2ac 2ab	Orthorhombic	0.00920 eV	CIF | POSCAR | LAMMPS	Materials Project
V12P8H48C12N8O60	62	Pnma	-P 2ac 2n	Orthorhombic	0.61690 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Co2H16C4O20	15	C2/c	-C 2yc	Monoclinic	2.95500 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs1Co1H18N6Cl4O8	148	R-3	-R 3	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr11La1Fe6Mo6O36	1	P1	P 1	Triclinic	0.01520 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Fe8P8H20O44	14	P21/c	-P 2ybc	Monoclinic	2.51250 eV	CIF | POSCAR | LAMMPS	Materials Project
V4As8H16O36	130	P4/ncc	P 4ab 2n -1ab	Tetragonal	2.56630 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Co6P8H36O48	14	P21/c	-P 2ybc	Monoclinic	3.08290 eV	CIF | POSCAR | LAMMPS	Materials Project