Zr8Cu(SiSb2)2
Alexandria ALEXAlex-ID: agm020122484 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_128_spg121
Zr5(SiSb)2 ZrCuSi Zr5SiSb3 Zr5CuSb3
2025-03-09 07:11:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020122484).
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
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# CIF generated by HEAS from Alexandria entry agm020122484
data_agm020122484
_cell_length_a 8.18639
_cell_length_b 8.18639
_cell_length_c 8.18639
_cell_angle_alpha 95.95658
_cell_angle_beta 95.95658
_cell_angle_gamma 142.41512
_cell_volume 316.78921
_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 0.33439 0.54582 0.37715 1.00000
Zr2 Zr 0.16867 0.95723 0.62285 1.00000
Zr3 Zr 0.83133 0.45418 0.78856 1.00000
Zr4 Zr 0.66561 0.04277 0.21144 1.00000
Zr5 Zr 0.04277 0.66561 0.21144 1.00000
Zr6 Zr 0.45418 0.83133 0.78856 1.00000
Zr7 Zr 0.95723 0.16867 0.62285 1.00000
Zr8 Zr 0.54582 0.33439 0.37715 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Si1 Si 0.50000 0.00000 0.50000 1.00000
Si2 Si 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.38124 0.08792 0.00000 1.00000
Sb2 Sb 0.08792 0.38124 0.00000 1.00000
Sb3 Sb 0.91208 0.91208 0.29332 1.00000
Sb4 Sb 0.61876 0.61876 0.70668 1.00000
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