Cs18Cd
Alexandria ALEXAlex-ID: agm067317852 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB18_2_spg166
Cs2Cd Cs
2024-12-26 04:00:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067317852).
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 agm067317852
data_agm067317852
_cell_length_a 13.03538
_cell_length_b 13.03538
_cell_length_c 13.05679
_cell_angle_alpha 78.35951
_cell_angle_beta 101.64049
_cell_angle_gamma 101.80759
_cell_volume 2097.00331
_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 0.19696 0.13962 0.30335 1.00000
Cs2 Cs 0.80336 0.19664 0.36001 1.00000
Cs3 Cs 0.13962 0.19696 0.69665 1.00000
Cs4 Cs 0.80304 0.86038 0.69665 1.00000
Cs5 Cs 0.19664 0.80336 0.63999 1.00000
Cs6 Cs 0.86038 0.80304 0.30335 1.00000
Cs7 Cs 0.52738 0.80514 0.97301 1.00000
Cs8 Cs 0.52748 0.47252 0.30558 1.00000
Cs9 Cs 0.19486 0.47262 0.97301 1.00000
Cs10 Cs 0.47262 0.19486 0.02699 1.00000
Cs11 Cs 0.47252 0.52748 0.69442 1.00000
Cs12 Cs 0.80514 0.52738 0.02699 1.00000
Cs13 Cs 0.13808 0.86192 0.02474 1.00000
Cs14 Cs 0.86164 0.47437 0.63856 1.00000
Cs15 Cs 0.52563 0.13836 0.63856 1.00000
Cs16 Cs 0.86192 0.13808 0.97526 1.00000
Cs17 Cs 0.13836 0.52563 0.36144 1.00000
Cs18 Cs 0.47437 0.86164 0.36144 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
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