CrCd
Alexandria ALEXAlex-ID: agm005446283 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1540_spg8
Cd Cr
2023-03-20 16:20:55.577255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005446283).
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 agm005446283
data_agm005446283
_cell_length_a 5.79295
_cell_length_b 5.79295
_cell_length_c 6.48621
_cell_angle_alpha 75.04970
_cell_angle_beta 75.04970
_cell_angle_gamma 29.93285
_cell_volume 104.66765
_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
Cr1 Cr 0.98467 0.98467 0.98629 1.00000
Cr2 Cr 0.93523 0.93523 0.66703 1.00000
Cr3 Cr 0.30036 0.30036 0.90694 1.00000
Cd1 Cd 0.61402 0.61402 0.24941 1.00000
Cd2 Cd 0.34067 0.34067 0.33875 1.00000
Cd3 Cd 0.65839 0.65839 0.68490 1.00000
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