Cu3AsO7
Alexandria ALEXAlex-ID: agm003208367 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_89_spg1
Cu5O6 Cu2AsO5 CuO5
2021-12-04 02:37:50.774481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003208367).
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 agm003208367
data_agm003208367
_cell_length_a 5.44651
_cell_length_b 5.42762
_cell_length_c 5.62080
_cell_angle_alpha 89.95019
_cell_angle_beta 61.60215
_cell_angle_gamma 94.90590
_cell_volume 145.46590
_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
Cu1 Cu 0.34205 0.94947 0.38453 1.00000
Cu2 Cu 0.37070 0.44513 0.61542 1.00000
Cu3 Cu 0.36651 0.44212 0.11524 1.00000
As1 As 0.99166 0.96312 0.02371 1.00000
O1 O 0.06375 0.80696 0.73490 1.00000
O2 O 0.03822 0.80437 0.25372 1.00000
O3 O 0.20199 0.25868 0.44616 1.00000
O4 O 0.26868 0.21783 0.90676 1.00000
O5 O 0.50512 0.65220 0.30065 1.00000
O6 O 0.52995 0.61580 0.79210 1.00000
O7 O 0.69356 0.12023 0.13672 1.00000
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