Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na5Ca1Al5Fe1Si12O36	5	C2	C 2y	Monoclinic	3.23450 eV	CIF | POSCAR | LAMMPS	Materials Project
Li4Cr4H8O18	9	Cc	C -2yc	Monoclinic	2.64690 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4H24S4O24	14	P21/c	-P 2ybc	Monoclinic	1.44910 eV	CIF | POSCAR | LAMMPS	Materials Project
Na9Cr6P6O24F9	1	P1	P 1	Triclinic	2.45820 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2H16Cl4O8	14	P21/c	-P 2ybc	Monoclinic	3.85620 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni2H24N4O24	2	P-1	-P 1	Triclinic	3.31640 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4La6Mn1Co9O30	123	P4/mmm	-P 4 2	Tetragonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K2Al4Ni2P6H8O28	15	C2/c	-C 2yc	Monoclinic	4.53120 eV	CIF | POSCAR | LAMMPS	Materials Project
V4P4H12Pb2O28	9	Cc	C -2yc	Monoclinic	0.76840 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn16Si12As4H4O52	14	P21/c	-P 2ybc	Monoclinic	2.21970 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H56N20O36	14	P21/c	-P 2ybc	Monoclinic	0.18650 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr4P8H64N12O40	14	P21/c	-P 2ybc	Monoclinic	0.07110 eV	CIF | POSCAR | LAMMPS	Materials Project
Ni8P8O28	14	P21/c	-P 2ybc	Monoclinic	3.60300 eV	CIF | POSCAR | LAMMPS	Materials Project
K12Fe12P16H8O68	52	Pnna	-P 2a 2bc	Orthorhombic	2.27610 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn6H6C24O24	2	P-1	-P 1	Triclinic	2.79400 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr8Mg8V12O56	14	P21/c	-P 2ybc	Monoclinic	0.77330 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb4Fe4H16Cl12O8	54	Pcca	-P 2a 2ac	Orthorhombic	3.85620 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H32C8N8O24F4	14	P21/c	-P 2ybc	Monoclinic	3.13620 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H40S4N4O28	14	P21/c	-P 2ybc	Monoclinic	2.70760 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H68S8N20Cl4O16	62	Pnma	-P 2ac 2n	Orthorhombic	0.03480 eV	CIF | POSCAR | LAMMPS	Materials Project