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
Cr8O21	2	P-1	-P 1	Triclinic	1.68060 eV	CIF \| POSCAR \| LAMMPS	Materials Project
W14O42	1	P1	P 1	Triclinic	2.47930 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V18O34	1	P1	P 1	Triclinic	0.56000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe12O18	143	P3	P 3	Hexagonal	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ba2Na7Ti16Bi7O48	1	P1	P 1	Triclinic	2.44870 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K1Cd6H4C12Cl1O26	1	P1	P 1	Triclinic	2.81570 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na2H36C18I2N6O6	1	P1	P 1	Triclinic	0.16620 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na8Al6Ge6N2O28	9	Cc	C -2yc	Monoclinic	2.79760 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K4Re12Os12Se32Cl24	1	P1	P 1	Triclinic	1.30250 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na8Al6Si6Cl2O32	3	P2	P 2y	Monoclinic	0.30440 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr5Al10Si14O48	1	P1	P 1	Triclinic	4.23380 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr3Nd10Al12Si18N36O18	8	Cm	C -2y	Monoclinic	3.00680 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K16Ge4H16N8O12	14	P21/c	-P 2ybc	Monoclinic	2.42710 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca6La14Mg7Ti13O60	1	P1	P 1	Triclinic	1.41480 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na2Ca8Ti8Nb2Si10O50	1	P1	P 1	Triclinic	2.95590 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr6Tm6Al8Si16N34O8	1	P1	P 1	Triclinic	1.61900 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Rb9Na2Al11Si13O48	1	P1	P 1	Triclinic	2.41450 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K7H12Pt4C16N16O6	1	P1	P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K3Ca2Mg10Si16H4O48	2	P-1	-P 1	Triclinic	0.81090 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na6Ca2Al6Si6S2O32	1	P1	P 1	Triclinic	3.78230 eV	CIF \| POSCAR \| LAMMPS	Materials Project