Zr5CdSb2
Alexandria ALEXAlex-ID: agm005247900 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_91_spg140
Zr5CdSb2
2023-05-07 11:04:42.160486
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005247900).
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 agm005247900
data_agm005247900
_cell_length_a 8.45082
_cell_length_b 8.45082
_cell_length_c 8.45082
_cell_angle_alpha 96.37631
_cell_angle_beta 96.37631
_cell_angle_gamma 141.06724
_cell_volume 357.58126
_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
Zr1 Zr 0.75000 0.25000 0.50000 1.00000
Zr2 Zr 0.25000 0.75000 0.50000 1.00000
Zr3 Zr 0.92216 0.22386 0.14602 1.00000
Zr4 Zr 0.07784 0.77614 0.85398 1.00000
Zr5 Zr 0.22386 0.07784 0.30170 1.00000
Zr6 Zr 0.57784 0.72386 0.30170 1.00000
Zr7 Zr 0.77614 0.92216 0.69830 1.00000
Zr8 Zr 0.42216 0.27614 0.69830 1.00000
Zr9 Zr 0.27614 0.57784 0.85398 1.00000
Zr10 Zr 0.72386 0.42216 0.14602 1.00000
Cd1 Cd 0.75000 0.75000 0.00000 1.00000
Cd2 Cd 0.25000 0.25000 0.00000 1.00000
Sb1 Sb 0.83654 0.66346 0.50000 1.00000
Sb2 Sb 0.16346 0.33654 0.50000 1.00000
Sb3 Sb 0.66346 0.16346 0.82692 1.00000
Sb4 Sb 0.33654 0.83654 0.17308 1.00000
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