Na3Cu7P4
Alexandria ALEXAlex-ID: agm005698714 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Na3Cu3P2 Na(CuP)2 Cu
2023-06-29 17:00:59.463935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698714).
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 agm005698714
data_agm005698714
_cell_length_a 3.96729
_cell_length_b 7.69080
_cell_length_c 7.72527
_cell_angle_alpha 70.80434
_cell_angle_beta 75.12129
_cell_angle_gamma 75.05306
_cell_volume 211.21891
_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 0.32001 0.18388 0.17610 1.00000
Na2 Na 0.67999 0.81612 0.82390 1.00000
Na3 Na 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.30610 0.85953 0.52827 1.00000
Cu2 Cu 0.49521 0.24728 0.76231 1.00000
Cu3 Cu 0.83616 0.41823 0.90944 1.00000
Cu4 Cu 0.69390 0.14047 0.47173 1.00000
Cu5 Cu 0.16384 0.58177 0.09056 1.00000
Cu6 Cu 0.00000 0.00000 0.00000 1.00000
Cu7 Cu 0.50479 0.75272 0.23769 1.00000
P1 P 0.66755 0.44356 0.22134 1.00000
P2 P 0.33245 0.55644 0.77866 1.00000
P3 P 0.89203 0.89685 0.31909 1.00000
P4 P 0.10797 0.10315 0.68091 1.00000
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