Cs12Cd5Au2
Alexandria ALEXAlex-ID: agm005681241 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_303_spg12
Cs2CdAu Cs2Cd Cs2Au
2023-06-23 05:06:05.705481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681241).
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 agm005681241
data_agm005681241
_cell_length_a 10.98372
_cell_length_b 10.98372
_cell_length_c 10.98342
_cell_angle_alpha 77.14451
_cell_angle_beta 77.14451
_cell_angle_gamma 73.87058
_cell_volume 1222.59699
_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 0.89183 0.89183 0.17675 1.00000
Cs2 Cs 0.03657 0.67299 0.82575 1.00000
Cs3 Cs 0.67299 0.03657 0.82575 1.00000
Cs4 Cs 0.17350 0.58825 0.39722 1.00000
Cs5 Cs 0.58825 0.17350 0.39722 1.00000
Cs6 Cs 0.43436 0.43436 0.87114 1.00000
Cs7 Cs 0.56564 0.56564 0.12886 1.00000
Cs8 Cs 0.82650 0.41175 0.60278 1.00000
Cs9 Cs 0.41175 0.82650 0.60278 1.00000
Cs10 Cs 0.96343 0.32701 0.17425 1.00000
Cs11 Cs 0.32701 0.96343 0.17425 1.00000
Cs12 Cs 0.10817 0.10817 0.82325 1.00000
Cd1 Cd 0.17709 0.17709 0.44835 1.00000
Cd2 Cd 0.31173 0.31173 0.21172 1.00000
Cd3 Cd 0.00000 0.00000 0.50000 1.00000
Cd4 Cd 0.68827 0.68827 0.78828 1.00000
Cd5 Cd 0.82291 0.82291 0.55165 1.00000
Au1 Au 0.75807 0.24193 0.00000 1.00000
Au2 Au 0.24193 0.75807 1.00000 1.00000
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