Zr3P2
Alexandria ALEXAlex-ID: agm005508124 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_317_spg43
Zr3P2
2023-03-20 12:23:46.054396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508124).
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 agm005508124
data_agm005508124
_cell_length_a 7.96781
_cell_length_b 7.38910
_cell_length_c 5.41878
_cell_angle_alpha 75.18528
_cell_angle_beta 63.70707
_cell_angle_gamma 41.10765
_cell_volume 186.39729
_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
Zr1 Zr 0.41307 0.36904 0.72485 1.00000
Zr2 Zr 0.49304 0.72485 0.36904 1.00000
Zr3 Zr 0.88096 0.83693 0.75696 1.00000
Zr4 Zr 0.52515 0.75696 0.83693 1.00000
Zr5 Zr 0.89751 0.10249 0.10249 1.00000
Zr6 Zr 0.14751 0.35249 0.35249 1.00000
P1 P 0.32353 0.57503 0.22859 1.00000
P2 P 0.87285 0.22859 0.57503 1.00000
P3 P 0.67497 0.92647 0.37715 1.00000
P4 P 0.02141 0.37715 0.92647 1.00000
Get direct link