Na2Cu3O4
Alexandria ALEXAlex-ID: agm002173451 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_44_spg71
NaCuO2 Na(CuO)2
2018-06-08 13:21:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173451).
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 agm002173451
data_agm002173451
_cell_length_a 2.96452
_cell_length_b 5.37994
_cell_length_c 7.15929
_cell_angle_alpha 112.18851
_cell_angle_beta 101.86523
_cell_angle_gamma 90.00169
_cell_volume 103.08748
_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 0.79765 0.29790 0.59613 1.00000
Na2 Na 0.20235 0.70210 0.40387 1.00000
O1 O 0.61368 0.87375 0.22413 1.00000
O2 O 0.38632 0.12625 0.77587 1.00000
O3 O 0.38662 0.64986 0.77651 1.00000
O4 O 0.61338 0.35014 0.22349 1.00000
Cu1 Cu 0.10509 0.10306 0.20626 1.00000
Cu2 Cu 0.89491 0.89694 0.79374 1.00000
Cu3 Cu 0.50000 0.50000 0.00000 1.00000
Get direct link