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
Ba2Ta2S6	194	P63/mmc	-P 6c 2c	Hexagonal	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li2Zr1F6	162	P-31m	-P 3 2	Hexagonal	6.47740 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ag10Sb2S8	36	Cmc21	C 2c -2	Orthorhombic	0.59200 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Er2P2O8	141	I41/amd	I 4bw 2bw -1bw	Tetragonal	5.91960 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Nd1Si2Ni2	139	I4/mmm	-I 4 2	Tetragonal	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Zn2Ge2As4	122	I-42d	I -4 2bw	Tetragonal	0.01190 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ba2Pd2S4	63	Cmcm	-C 2c 2	Orthorhombic	0.38440 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Nd1Si2Ru2	139	I4/mmm	-I 4 2	Tetragonal	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Pr1Si2Cu2	139	I4/mmm	-I 4 2	Tetragonal	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Tl8Ga8S16	15	C2/c	-C 2yc	Monoclinic	1.79120 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca8Ti8O24	62	Pnma	-P 2ac 2n	Orthorhombic	2.32380 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Zr4Co2Si4	12	C2/m	-C 2y	Monoclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Dy8Fe56B4	136	P42/mnm	-P 4n 2n	Tetragonal	0.00700 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Dy2Ag2Te4	113	P-421m	P -4 2ab	Tetragonal	0.90180 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Tm1Ni1Sb1	216	F-43m	F -4 2 3	Cubic	0.25270 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K1Cr1S2	166	R-3m	-R 3 2"	Hexagonal	1.16120 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Rb2Pt3S4	69	Fmmm	-F 2 2	Orthorhombic	1.45080 eV	CIF \| POSCAR \| LAMMPS	Materials Project
La2Te4Se2	63	Cmcm	-C 2c 2	Orthorhombic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Rb2Re2O8	88	I41/a	I 4bw -1bw	Tetragonal	4.11890 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Tm1Ni1C2	38	Amm2	A 2 -2	Orthorhombic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project