Cs2LaAuCl6
Alexandria ALEXAlex-ID: agm004984841 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_536_spg2
CsLa2Cl7 CsAuCl3 Cs2LaCl5 Au
2022-07-22 01:30:25.483553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004984841).
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 agm004984841
data_agm004984841
_cell_length_a 7.56746
_cell_length_b 8.02047
_cell_length_c 8.74993
_cell_angle_alpha 120.02042
_cell_angle_beta 122.86926
_cell_angle_gamma 77.69035
_cell_volume 384.97028
_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 0.79592 0.28394 0.54158 1.00000
Cs2 Cs 0.20407 0.71674 0.45815 1.00000
La1 La 0.99980 0.00040 0.99973 1.00000
Au1 Au 0.49981 0.50052 0.99981 1.00000
Cl1 Cl 0.78320 0.89523 0.11147 1.00000
Cl2 Cl 0.73578 0.75497 0.58650 1.00000
Cl3 Cl 0.21674 0.10545 0.88819 1.00000
Cl4 Cl 0.78651 0.34517 0.97871 1.00000
Cl5 Cl 0.26403 0.24579 0.41295 1.00000
Cl6 Cl 0.21310 0.65573 0.02085 1.00000
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