Zn5P
Alexandria ALEXAlex-ID: agm005455891 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_575_spg8
Zn3P2 Zn
2023-03-21 18:52:08.185545
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005455891).
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 agm005455891
data_agm005455891
_cell_length_a 6.49415
_cell_length_b 6.49415
_cell_length_c 8.32748
_cell_angle_alpha 43.60787
_cell_angle_beta 43.60787
_cell_angle_gamma 23.99218
_cell_volume 96.01240
_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
Zn1 Zn 0.27586 0.27586 0.32941 1.00000
Zn2 Zn 0.82509 0.82509 0.54084 1.00000
Zn3 Zn 0.59257 0.59257 0.32534 1.00000
Zn4 Zn 0.94992 0.94992 0.72370 1.00000
Zn5 Zn 0.18841 0.18841 0.96304 1.00000
P1 P 0.00148 0.00148 0.95100 1.00000
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