CsIn3Au
Alexandria ALEXAlex-ID: agm005808470 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
CsIn2Au Cs2In3 In2Au
2023-07-07 17:54:11.698342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808470).
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 agm005808470
data_agm005808470
_cell_length_a 5.07277
_cell_length_b 5.07505
_cell_length_c 7.06615
_cell_angle_alpha 68.81095
_cell_angle_beta 68.79359
_cell_angle_gamma 89.77849
_cell_volume 156.43671
_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 0.40034 0.20383 0.90495 1.00000
In1 In 0.64382 0.94737 0.41778 1.00000
In2 In 0.14380 0.44718 0.41777 1.00000
In3 In 0.79136 0.59486 0.12326 1.00000
Au1 Au 0.02844 0.83193 0.64738 1.00000
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