Ac(AsO2)3
Alexandria ALEXAlex-ID: agm006038014 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_37_spg160
AcAsO3 As2O3
2023-09-19 06:24:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006038014).
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 agm006038014
data_agm006038014
_cell_length_a 4.38812
_cell_length_b 7.10093
_cell_length_c 7.10092
_cell_angle_alpha 115.87143
_cell_angle_beta 101.88736
_cell_angle_gamma 101.88736
_cell_volume 183.48871
_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
Ac1 Ac 0.29139 0.00000 0.00000 1.00000
As1 As 0.82908 0.47689 1.00000 1.00000
As2 As 0.82908 1.00000 0.47689 1.00000
As3 As 0.35219 0.52311 0.52311 1.00000
O1 O 0.18649 1.00000 0.62761 1.00000
O2 O 0.18649 0.62761 0.00000 1.00000
O3 O 0.89066 0.00000 0.24459 1.00000
O4 O 0.89066 0.24459 1.00000 1.00000
O5 O 0.64607 0.75541 0.75541 1.00000
O6 O 0.55888 0.37239 0.37239 1.00000
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