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
Na4Cr4O14	2	P-1	-P 1	Triclinic	2.62670 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K4Na2Fe1H3F12	3	P2	P 2y	Monoclinic	4.07850 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr2Ti2Fe2P6O24	161	R3c	R 3 -2"c	Hexagonal	2.25250 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na6Ni6P12H6O42	1	P1	P 1	Triclinic	4.26320 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Co4H48S4O40	15	C2/c	-C 2yc	Monoclinic	2.66730 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li6Ti8Ni1P8O40	2	P-1	-P 1	Triclinic	2.97960 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li3La8Ti9Cr3O36	1	P1	P 1	Triclinic	1.29760 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K2Mg2In2Mo6O24	161	R3c	R 3 -2"c	Hexagonal	3.82100 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe2P6H10N2O20	15	C2/c	-C 2yc	Monoclinic	2.61110 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li4Cr4H8O18	15	C2/c	-C 2yc	Monoclinic	2.66900 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mn4P8H16O20	14	P21/c	-P 2ybc	Monoclinic	0.43200 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na4Mg2B24H32O56	14	P21/c	-P 2ybc	Monoclinic	3.22280 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr3La9Mn11Ni1O36	1	P1	P 1	Triclinic	0.19390 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe2H2O4	63	Cmcm	-C 2c 2	Orthorhombic	1.89570 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K8Ti6Mn2P12O48	4	P21	P 2yb	Monoclinic	1.26370 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca4Fe4Si10H2O30	2	P-1	-P 1	Triclinic	1.63040 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V2H20S4N4O16	14	P21/c	-P 2ybc	Monoclinic	0.89140 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K10Hf2In2Mo12O48	167	R-3c	-R 3 2"c	Hexagonal	3.71060 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr5La2Mn8O18F6	1	P1	P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni4H16I8O32	61	Pbca	-P 2ac 2ab	Orthorhombic	3.02060 eV	CIF \| POSCAR \| LAMMPS	Materials Project