Cu2P3
Alexandria ALEXAlex-ID: agm005507514 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_561_spg43
CuP2 Cu
2023-03-20 12:30:15.926065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507514).
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 agm005507514
data_agm005507514
_cell_length_a 8.87937
_cell_length_b 7.30837
_cell_length_c 5.81446
_cell_angle_alpha 84.34338
_cell_angle_beta 54.99129
_cell_angle_gamma 40.66533
_cell_volume 156.29156
_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 0.86547 0.90899 0.69726 1.00000
Cu2 Cu 0.52828 0.69726 0.90899 1.00000
Cu3 Cu 0.55274 0.72172 0.38453 1.00000
Cu4 Cu 0.34101 0.38453 0.72172 1.00000
P1 P 0.12924 0.29287 0.07583 1.00000
P2 P 0.50206 0.07583 0.29287 1.00000
P3 P 0.17417 0.74794 0.12076 1.00000
P4 P 0.95713 0.12076 0.74794 1.00000
P5 P 0.97495 0.52505 0.52505 1.00000
P6 P 0.72495 0.27505 0.27505 1.00000
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