Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
La5Re3Ni1O16	2	P-1	-P 1	Triclinic	0.00210 eV	CIF | POSCAR | LAMMPS	Materials Project
K12W4N8O6	14	P21/c	-P 2ybc	Monoclinic	2.05470 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn2Ag2H16O8F8	11	P21/m	-P 2yb	Monoclinic	0.03490 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr2La2Mn2Ru2O12	7	Pc	P -2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4La12Mg8Ti6W2O48	12	C2/m	-C 2y	Monoclinic	2.17250 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H80C8S8N24O52	2	P-1	-P 1	Triclinic	3.03340 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba2La8Ti2Cr8O30	2	P-1	-P 1	Triclinic	1.88160 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6La14Ti10Cr10O60	6	Pm	P -2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Mn4H32N8O40	14	P21/c	-P 2ybc	Monoclinic	2.87910 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Ca6Mg2Fe2Si8O28	28	Pma2	P 2 -2a	Orthorhombic	0.76120 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Cr6As3H3O30	144	P31	P 31	Hexagonal	2.68990 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr4H4Se12O32	14	P21/c	-P 2ybc	Monoclinic	0.26990 eV	CIF | POSCAR | LAMMPS	Materials Project
Tb2Fe2Ge4O14	12	C2/m	-C 2y	Monoclinic	2.55450 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Ni4Mo4H5O20	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Mo8H12O32F2	2	P-1	-P 1	Triclinic	0.00650 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Mo4H24C8N2O6F18	39	Abm2	A 2 -2c	Orthorhombic	0.06260 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H48Br8O48	205	Pa-3	-P 2ac 2ab 3	Cubic	3.20870 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca8Cr4H8I8O44	14	P21/c	-P 2ybc	Monoclinic	2.94790 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo12H36I12Cl16O16	14	P21/c	-P 2ybc	Monoclinic	0.11400 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6Nd6Mn12O36	1	P1	P 1	Triclinic	0.10060 eV	CIF | POSCAR | LAMMPS	Materials Project