Cs3(ZnSb)4
Alexandria ALEXAlex-ID: agm009920331 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_2_spg217
ZnSb CsZnSb
2024-04-20 21:51:58.344155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009920331).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm009920331
data_agm009920331
_cell_length_a 7.73241
_cell_length_b 7.73241
_cell_length_c 7.73213
_cell_angle_alpha 70.53384
_cell_angle_beta 70.53384
_cell_angle_gamma 109.46013
_cell_volume 355.97655
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1 Cs 0.49992 0.99973 0.50029 1.00000
Cs2 Cs 0.50032 0.50032 0.00046 1.00000
Cs3 Cs 0.99973 0.49992 0.50029 1.00000
Zn1 Zn 0.69964 0.69964 0.30105 1.00000
Zn2 Zn 0.30143 0.00046 0.00014 1.00000
Zn3 Zn 0.00046 0.30143 0.00014 1.00000
Zn4 Zn 0.00044 0.00044 0.69916 1.00000
Sb1 Sb 0.33030 0.33030 0.67026 1.00000
Sb2 Sb 0.00048 0.67078 0.00008 1.00000
Sb3 Sb 0.67078 0.00048 0.00008 1.00000
Sb4 Sb 0.00051 0.00051 0.32983 1.00000
Get direct link