Zn2Sb
Alexandria ALEXAlex-ID: agm005459433 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_117_spg12
ZnSb Zn
2023-03-22 02:19:45.725564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459433).
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 agm005459433
data_agm005459433
_cell_length_a 6.76112
_cell_length_b 6.76112
_cell_length_c 5.85578
_cell_angle_alpha 66.08325
_cell_angle_beta 66.08325
_cell_angle_gamma 30.32594
_cell_volume 122.65759
_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
Zn1 Zn 0.91868 0.91868 0.23799 1.00000
Zn2 Zn 0.24583 0.24583 0.32565 1.00000
Zn3 Zn 0.08132 0.08132 0.76201 1.00000
Zn4 Zn 0.75417 0.75417 0.67435 1.00000
Sb1 Sb 0.60119 0.60119 0.17911 1.00000
Sb2 Sb 0.39881 0.39881 0.82089 1.00000
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