Cs2AlCd
Alexandria ALEXAlex-ID: agm005491815 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Cs2Cd Al
2023-03-18 08:07:55.016880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491815).
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 agm005491815
data_agm005491815
_cell_length_a 8.28222
_cell_length_b 8.28222
_cell_length_c 8.28222
_cell_angle_alpha 102.22262
_cell_angle_beta 102.22262
_cell_angle_gamma 125.21026
_cell_volume 412.12307
_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 0.87459 0.37500 0.99959 1.00000
Cs2 Cs 0.37541 0.87500 0.00041 1.00000
Cs3 Cs 0.12500 0.12541 0.50041 1.00000
Cs4 Cs 0.62500 0.62459 0.49959 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Al2 Al 0.75000 0.25000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.25000 0.75000 0.50000 1.00000
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