Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ba8Na6Nd6P12O48F4	1	P1	P 1	Triclinic	4.85800 eV	CIF | POSCAR | LAMMPS	Materials Project
Na2Ca2Mg2Al2Si8O24	7	Pc	P -2yc	Monoclinic	2.58730 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs2K2Na2Li26Si8O32	12	C2/m	-C 2y	Monoclinic	3.92460 eV	CIF | POSCAR | LAMMPS	Materials Project
Yb6Ba6Al13Si11N29O13	1	P1	P 1	Triclinic	0.07510 eV	CIF | POSCAR | LAMMPS	Materials Project
Li8H16S12O48	56	Pccn	-P 2ab 2ac	Orthorhombic	5.87730 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr20P12Cl1O48F3	1	P1	P 1	Triclinic	5.16410 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg1P1H1O9	146	R3	R 3	Hexagonal	0.02870 eV	CIF | POSCAR | LAMMPS	Materials Project
Al4Si4H8O18	9	Cc	C -2yc	Monoclinic	0.48990 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4H16Se4O20	19	P212121	P 2ac 2ab	Orthorhombic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Re8H24Pb4C4N8O40	14	P21/c	-P 2ybc	Monoclinic	3.13030 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4B8H40O36	14	P21/c	-P 2ybc	Monoclinic	0.59580 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Ru2H40S8N4O36	14	P21/c	-P 2ybc	Monoclinic	3.31690 eV	CIF | POSCAR | LAMMPS	Materials Project
K8H24Pt4C16N16O12	60	Pbcn	-P 2n 2ab	Orthorhombic	1.87230 eV	CIF | POSCAR | LAMMPS	Materials Project
Na12As4H88S8O52	62	Pnma	-P 2ac 2n	Orthorhombic	3.01690 eV	CIF | POSCAR | LAMMPS	Materials Project
As4H72N12O28	14	P21/c	-P 2ybc	Monoclinic	4.17350 eV	CIF | POSCAR | LAMMPS	Materials Project
U4H40N8O28	60	Pbcn	-P 2n 2ab	Orthorhombic	2.40490 eV	CIF | POSCAR | LAMMPS	Materials Project
Na24B40H32O88	61	Pbca	-P 2ac 2ab	Orthorhombic	5.03420 eV	CIF | POSCAR | LAMMPS	Materials Project
Zr2Cu2H16O8F12	14	P21/c	-P 2ybc	Monoclinic	0.86950 eV	CIF | POSCAR | LAMMPS	Materials Project
H64C16S16N32Cl16	61	Pbca	-P 2ac 2ab	Orthorhombic	3.61880 eV	CIF | POSCAR | LAMMPS	Materials Project
Na16B40H24O80	14	P21/c	-P 2ybc	Monoclinic	4.97950 eV	CIF | POSCAR | LAMMPS	Materials Project