Na5Cu2O5
Alexandria ALEXAlex-ID: agm003373397 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_31_spg12
Na3CuO3 NaCuO
2022-02-08 20:40:21.587967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373397).
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 agm003373397
data_agm003373397
_cell_length_a 3.27394
_cell_length_b 5.53750
_cell_length_c 9.03348
_cell_angle_alpha 105.04706
_cell_angle_beta 90.00000
_cell_angle_gamma 107.19447
_cell_volume 150.56448
_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
Na1 Na 0.50000 0.00000 0.50000 1.00000
Na2 Na 0.65678 0.31355 0.06474 1.00000
Na3 Na 0.75490 0.50980 0.36622 1.00000
Na4 Na 0.24510 0.49020 0.63378 1.00000
Na5 Na 0.34322 0.68645 0.93526 1.00000
Cu1 Cu 0.03545 0.07091 0.79366 1.00000
Cu2 Cu 0.96455 0.92909 0.20634 1.00000
O1 O 0.10598 0.21197 0.38409 1.00000
O2 O 0.64909 0.29818 0.79995 1.00000
O3 O 0.35091 0.70182 0.20005 1.00000
O4 O 0.89402 0.78803 0.61591 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
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