Catalyst Hub | First database in catalyst field. Here, you can download files of cif or POSCAR of crystal structures freely.

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Co4H32Cl8O16	14	P21/c	-P 2ybc	Monoclinic	1.96070 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K4Co6P8H8O32	14	P21/c	-P 2ybc	Monoclinic	2.83740 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cs4Fe4H96S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	2.87470 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe4P16O44	2	P-1	-P 1	Triclinic	3.57810 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr4Fe12P16H4O64	14	P21/c	-P 2ybc	Monoclinic	2.38440 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mn4Cu2H24N8O16	11	P21/m	-P 2yb	Monoclinic	0.09030 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mn8H8C24O32	147	P-3	-P 3	Hexagonal	2.77330 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe4H40S8N4O44	14	P21/c	-P 2ybc	Monoclinic	0.04290 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K2Mn7H18C18O40	2	P-1	-P 1	Triclinic	0.01320 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V20O36	2	P-1	-P 1	Triclinic	0.00200 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na2V4P4H16O28	2	P-1	-P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni1H6S2O12	2	P-1	-P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca12Mn8Si7H15O48	1	P1	P 1	Triclinic	1.09980 eV	CIF \| POSCAR \| LAMMPS	Materials Project