Cs(Al3Cu)2
Alexandria ALEXAlex-ID: agm097643194 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_262_spg71
Al2Cu Cs Al
2025-04-06 17:10:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097643194).
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 agm097643194
data_agm097643194
_cell_length_a 4.81727
_cell_length_b 4.66456
_cell_length_c 9.90965
_cell_angle_alpha 101.74610
_cell_angle_beta 101.39937
_cell_angle_gamma 94.38803
_cell_volume 212.12371
_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 0.77558 0.72709 0.37116 1.00000
Al1 Al 0.54248 0.44756 0.91234 1.00000
Al2 Al 0.35976 0.31682 0.61200 1.00000
Al3 Al 0.08683 0.48379 0.04290 1.00000
Al4 Al 0.95744 0.57990 0.75114 1.00000
Al5 Al 0.36227 0.99582 0.03425 1.00000
Al6 Al 0.50676 0.88466 0.73336 1.00000
Cu1 Cu 0.83832 0.95126 0.99387 1.00000
Cu2 Cu 0.07056 0.11310 0.79898 1.00000
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