CsCd2Pt
Alexandria ALEXAlex-ID: agm005686447 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_75_spg71
CsCd3Pt2 CsCd3Pt Cs
2023-07-11 21:11:58.235957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686447).
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 agm005686447
data_agm005686447
_cell_length_a 5.42173
_cell_length_b 7.49681
_cell_length_c 9.10255
_cell_angle_alpha 114.32250
_cell_angle_beta 107.32632
_cell_angle_gamma 90.00000
_cell_volume 318.62685
_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 0.16352 0.66352 0.32704 1.00000
Cs2 Cs 0.83648 0.33648 0.67296 1.00000
Cd1 Cd 0.50000 0.30897 1.00000 1.00000
Cd2 Cd 0.50000 0.69103 0.00000 1.00000
Cd3 Cd 0.84377 0.84377 0.68755 1.00000
Cd4 Cd 0.15623 0.15623 0.31245 1.00000
Pt1 Pt 0.24253 0.00000 0.00000 1.00000
Pt2 Pt 0.75747 1.00000 1.00000 1.00000
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