CsAu(SeO4)2
Alexandria ALEXAlex-ID: agm018657906 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_401_spg2
CsAu(SeO4)2
2025-01-29 03:28:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018657906).
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 agm018657906
data_agm018657906
_cell_length_a 5.08389
_cell_length_b 6.80569
_cell_length_c 8.87124
_cell_angle_alpha 84.96428
_cell_angle_beta 101.22411
_cell_angle_gamma 109.51904
_cell_volume 283.68079
_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 0.00000 0.50000 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.55393 0.91151 0.73030 1.00000
Se2 Se 0.44607 0.08849 0.26970 1.00000
O1 O 0.81252 0.13809 0.31846 1.00000
O2 O 0.73958 0.15593 0.76215 1.00000
O3 O 0.57176 0.74160 0.87159 1.00000
O4 O 0.42824 0.25840 0.12841 1.00000
O5 O 0.26042 0.84407 0.23785 1.00000
O6 O 0.37140 0.17121 0.43404 1.00000
O7 O 0.62860 0.82879 0.56596 1.00000
O8 O 0.18748 0.86191 0.68154 1.00000
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