Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na12P4H4O18	15	C2/c	-C 2yc	Monoclinic	4.37540 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Mg1H4S2O8	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd8H24N8O40	61	Pbca	-P 2ac 2ab	Orthorhombic	3.24560 eV	CIF | POSCAR | LAMMPS	Materials Project
H12Pt1N6Cl2O6	2	P-1	-P 1	Triclinic	2.19750 eV	CIF | POSCAR | LAMMPS	Materials Project
H32Se8N8O20	19	P212121	P 2ac 2ab	Orthorhombic	3.64600 eV	CIF | POSCAR | LAMMPS	Materials Project
Sb4H24C4N12F16	19	P212121	P 2ac 2ab	Orthorhombic	4.58060 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca6Si18Cu10O52	15	C2/c	-C 2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4Re8H48C12N24O44	14	P21/c	-P 2ybc	Monoclinic	2.94660 eV	CIF | POSCAR | LAMMPS	Materials Project
Li12H24Ir4	62	Pnma	-P 2ac 2n	Orthorhombic	3.04950 eV	CIF | POSCAR | LAMMPS	Materials Project
Na4Ni2H28N12	87	I4/m	-I 4	Tetragonal	1.06260 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg14Si8H4O32	51	Pmma	-P 2a 2a	Orthorhombic	3.84380 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca16H48N16O80	61	Pbca	-P 2ac 2ab	Orthorhombic	3.41210 eV	CIF | POSCAR | LAMMPS	Materials Project
Li4H8N4O12	14	P21/c	-P 2ybc	Monoclinic	2.77190 eV	CIF | POSCAR | LAMMPS	Materials Project
K6Li3Al3F18	191	P6/mmm	-P 6 2	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Na10P6H4O22	2	P-1	-P 1	Triclinic	0.34760 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Cu2B16H34O46	2	P-1	-P 1	Triclinic	0.61480 eV	CIF | POSCAR | LAMMPS	Materials Project
K4B12H10N2O4	63	Cmcm	-C 2c 2	Orthorhombic	1.78860 eV	CIF | POSCAR | LAMMPS	Materials Project
Hf12Zn12C4	227	Fd-3m	F 4d 2 3 -1d	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Hf12Zn12N4	227	Fd-3m	F 4d 2 3 -1d	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr12Zn12N4	227	Fd-3m	F 4d 2 3 -1d	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project