Cs3(AsAu2)2
Alexandria ALEXAlex-ID: agm005695063 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_703_spg2
Cs3As2Au3 CsAu3 CsAsAu2
2023-06-26 19:10:26.443485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695063).
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 agm005695063
data_agm005695063
_cell_length_a 7.24730
_cell_length_b 9.81481
_cell_length_c 11.81287
_cell_angle_alpha 99.58939
_cell_angle_beta 120.54960
_cell_angle_gamma 67.68742
_cell_volume 669.07469
_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 0.05211 0.01631 0.72151 1.00000
Cs2 Cs 0.33371 0.35044 0.05450 1.00000
Cs3 Cs 0.94789 0.98369 0.27849 1.00000
Cs4 Cs 0.66629 0.64956 0.94550 1.00000
Cs5 Cs 0.33189 0.32727 0.62747 1.00000
Cs6 Cs 0.66811 0.67273 0.37253 1.00000
As1 As 0.60359 0.86287 0.66670 1.00000
As2 As 0.01728 0.34141 0.23711 1.00000
As3 As 0.39641 0.13713 0.33330 1.00000
As4 As 0.98272 0.65859 0.76289 1.00000
Au1 Au 0.68229 0.02119 0.86260 1.00000
Au2 Au 0.84840 0.21926 0.02356 1.00000
Au3 Au 0.31771 0.97881 0.13740 1.00000
Au4 Au 0.15160 0.78074 0.97644 1.00000
Au5 Au 0.36211 0.70660 0.54273 1.00000
Au6 Au 0.17561 0.54432 0.34223 1.00000
Au7 Au 0.63789 0.29340 0.45727 1.00000
Au8 Au 0.82439 0.45568 0.65777 1.00000
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