Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Li4Ti8Co2As8O40	1	P1	P 1	Triclinic	2.72860 eV	CIF | POSCAR | LAMMPS	Materials Project
Cr2H28N8Cl6O2	11	P21/m	-P 2yb	Monoclinic	3.18290 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo4P8O30	4	P21	P 2yb	Monoclinic	0.00960 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo16H64O80	14	P21/c	-P 2ybc	Monoclinic	0.57740 eV	CIF | POSCAR | LAMMPS	Materials Project
Li8Mo8H48N8O40	61	Pbca	-P 2ac 2ab	Orthorhombic	2.88750 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4P8H68N16O36	14	P21/c	-P 2ybc	Monoclinic	1.18900 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H16Se4O20	14	P21/c	-P 2ybc	Monoclinic	2.73780 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr2V4P4H16O28	9	Cc	C -2yc	Monoclinic	2.32470 eV	CIF | POSCAR | LAMMPS	Materials Project
V4H32N8O20F4	14	P21/c	-P 2ybc	Monoclinic	2.36700 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Li10Ti6Cr6P18O72	1	P1	P 1	Triclinic	2.20410 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Fe2P4H6O16F4	1	P1	P 1	Triclinic	0.44480 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4Ni4H48C16N16O24	62	Pnma	-P 2ac 2n	Orthorhombic	2.78870 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr12Fe8H48O48	230	Ia-3d	-I 4bd 2c 3	Cubic	0.02460 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Ni4H24C16N16O12	2	P-1	-P 1	Triclinic	3.41640 eV	CIF | POSCAR | LAMMPS	Materials Project
Co2H12Se4O16	14	P21/c	-P 2ybc	Monoclinic	2.94830 eV	CIF | POSCAR | LAMMPS	Materials Project
Co4H32S4O32	14	P21/c	-P 2ybc	Monoclinic	3.26090 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4P8H4O28	14	P21/c	-P 2ybc	Monoclinic	2.41350 eV	CIF | POSCAR | LAMMPS	Materials Project
Mo8H16N4O26	2	P-1	-P 1	Triclinic	3.16540 eV	CIF | POSCAR | LAMMPS	Materials Project
Er8Cr8H8O40	14	P21/c	-P 2ybc	Monoclinic	2.48140 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4La6Mn5In5O30	8	Cm	C -2y	Monoclinic	0.22430 eV	CIF | POSCAR | LAMMPS	Materials Project