Zn2P
Alexandria ALEXAlex-ID: agm005455923 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_17_spg12
Zn3P2 Zn
2023-03-21 18:32:43.101754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005455923).
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 agm005455923
data_agm005455923
_cell_length_a 6.61157
_cell_length_b 6.61157
_cell_length_c 7.23538
_cell_angle_alpha 58.25434
_cell_angle_beta 58.25434
_cell_angle_gamma 22.52919
_cell_volume 102.26824
_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 0.14453 0.14453 0.86115 1.00000
Zn2 Zn 0.85558 0.85558 0.63890 1.00000
Zn3 Zn 0.14442 0.14442 0.36110 1.00000
Zn4 Zn 0.85547 0.85547 0.13885 1.00000
P1 P 0.50008 0.50008 0.24987 1.00000
P2 P 0.49992 0.49992 0.75013 1.00000
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