Cs7LiAu5O2
Alexandria ALEXAlex-ID: agm005290476 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D7_7_spg1
Cs6Au4O Cs7Au5O2 CsAu Li2O
2023-05-07 06:51:24.370136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290476).
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 agm005290476
data_agm005290476
_cell_length_a 6.21332
_cell_length_b 9.81036
_cell_length_c 10.78123
_cell_angle_alpha 106.75277
_cell_angle_beta 102.64042
_cell_angle_gamma 89.01700
_cell_volume 613.28322
_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 0.72151 0.54779 0.56148 1.00000
Cs2 Cs 0.59590 0.81142 0.03589 1.00000
Cs3 Cs 0.90941 0.09194 0.69145 1.00000
Cs4 Cs 0.13871 0.31968 0.29492 1.00000
Cs5 Cs 0.20645 0.87252 0.31985 1.00000
Cs6 Cs 0.52381 0.21166 0.98355 1.00000
Cs7 Cs 0.02689 0.49838 0.99777 1.00000
Li1 Li 0.11084 0.75307 0.85079 1.00000
Au1 Au 0.61157 0.56449 0.23073 1.00000
Au2 Au 0.28271 0.78661 0.66339 1.00000
Au3 Au 0.05316 0.00876 0.00873 1.00000
Au4 Au 0.29272 0.50933 0.73499 1.00000
Au5 Au 0.67358 0.13613 0.34776 1.00000
O1 O 0.07483 0.80334 0.02187 1.00000
O2 O 0.02792 0.20986 0.99435 1.00000
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