AsSeO4
Alexandria ALEXAlex-ID: agm005889085 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3276_spg15
SeO2 AsO2
2023-07-30 21:30:47.034086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005889085).
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 agm005889085
data_agm005889085
_cell_length_a 5.24588
_cell_length_b 5.20770
_cell_length_c 7.63561
_cell_angle_alpha 109.16182
_cell_angle_beta 109.32022
_cell_angle_gamma 92.12999
_cell_volume 183.44041
_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
As1 As 0.78968 0.03967 0.07935 1.00000
As2 As 0.21032 0.96033 0.92065 1.00000
Se1 Se 0.45197 0.70197 0.40393 1.00000
Se2 Se 0.54803 0.29803 0.59607 1.00000
O1 O 0.32099 0.94576 0.56209 1.00000
O2 O 0.07590 0.81987 0.06442 1.00000
O3 O 0.25891 0.38367 0.43791 1.00000
O4 O 0.51148 0.75545 0.93558 1.00000
O5 O 0.67901 0.05424 0.43791 1.00000
O6 O 0.74109 0.61633 0.56209 1.00000
O7 O 0.92410 0.18013 0.93558 1.00000
O8 O 0.48852 0.24455 0.06442 1.00000
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