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
Mg11Al1Fe1Si11O36	1	P1	P 1	Triclinic	2.73990 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Co1P2H18N6F12	1	P1	P 1	Triclinic	2.62440 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni4H48S4O40	96	P43212	P 4nw 2abw	Tetragonal	5.06000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ti2Cd2Fe2P6O24	161	R3c	R 3 -2"c	Hexagonal	2.25850 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Zr2Fe2P6Pb2O24	161	R3c	R 3 -2"c	Hexagonal	2.37860 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca2Fe2Sn2P6O24	161	R3c	R 3 -2"c	Hexagonal	2.49130 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li3Ti3Fe1P6O24	1	P1	P 1	Triclinic	2.43150 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K8Nb2Fe6P12O48	4	P21	P 2yb	Monoclinic	2.35290 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Zr2Cr2Cu4P6O24	1	P1	P 1	Triclinic	2.74460 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li4Ti8Co2P8O40	14	P21/c	-P 2ybc	Monoclinic	1.61720 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca6Y2Mn6B8O30	6	Pm	P -2y	Monoclinic	1.37900 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni4H48Br8O48	205	Pa-3	-P 2ac 2ab 3	Cubic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni4B24H64O72	14	P21/c	-P 2ybc	Monoclinic	4.94570 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K1Mn1H5S2O10	1	P1	P 1	Triclinic	0.78050 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mo2H4Cl4O6	31	Pmn21	P 2ac -2	Orthorhombic	2.62580 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K4Fe2H4O2F10	15	C2/c	-C 2yc	Monoclinic	3.86840 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K2Mn2H8Cl6O4	2	P-1	-P 1	Triclinic	0.16190 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Co2P2H12O12F2	2	P-1	-P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Co2H12C4S4N4O6	15	C2/c	-C 2yc	Monoclinic	2.23580 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca5Dy1Ti5Fe1Si6O30	1	P1	P 1	Triclinic	2.67690 eV	CIF \| POSCAR \| LAMMPS	Materials Project