Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ca2Zn4H24Br12O12	12	C2/m	-C 2y	Monoclinic	3.59490 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu2H40S4N4O28	14	P21/c	-P 2ybc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Si4H72O48	73	Ibca	-I 2b 2c	Orthorhombic	4.74530 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Zn2H16N8	2	P-1	-P 1	Triclinic	1.98000 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg16H4N12O40	41	Aba2	A 2 -2ac	Orthorhombic	2.05580 eV	CIF | POSCAR | LAMMPS	Materials Project
Te2P8H52N8O40	14	P21/c	-P 2ybc	Monoclinic	3.53950 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Ca4Al4H8O4F24	15	C2/c	-C 2yc	Monoclinic	6.63680 eV	CIF | POSCAR | LAMMPS	Materials Project
Ag4H24S2N8O8	114	P-421c	P -4 2n	Tetragonal	2.94120 eV	CIF | POSCAR | LAMMPS	Materials Project
Al4Si4H10C4N2O20	9	Cc	C -2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba20H40O40	62	Pnma	-P 2ac 2n	Orthorhombic	3.25750 eV	CIF | POSCAR | LAMMPS	Materials Project
H16Os12C40O36	2	P-1	-P 1	Triclinic	3.22890 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Mn4H32N16	14	P21/c	-P 2ybc	Monoclinic	0.00930 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe4H64C16S16N32Cl8	86	P42/n	P 4n -1n	Tetragonal	0.58840 eV	CIF | POSCAR | LAMMPS	Materials Project
K4Te2H12Se2O20	15	C2/c	-C 2yc	Monoclinic	3.36950 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn4H48N12Cl20	62	Pnma	-P 2ac 2n	Orthorhombic	4.41430 eV	CIF | POSCAR | LAMMPS	Materials Project
Be4H16N4F12	19	P212121	P 2ac 2ab	Orthorhombic	6.16750 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd8H8Se8N8O48	61	Pbca	-P 2ac 2ab	Orthorhombic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Li12Nd8H24N36O120	198	P213	P 2ac 2ab 3	Cubic	3.51230 eV	CIF | POSCAR | LAMMPS	Materials Project
Ti6Bi8O24	7	Pc	P -2yc	Monoclinic	2.37150 eV	CIF | POSCAR | LAMMPS	Materials Project
H4C4S6N4O12F12	15	C2/c	-C 2yc	Monoclinic	5.89830 eV	CIF | POSCAR | LAMMPS	Materials Project