LiP5
Alexandria ALEXAlex-ID: agm003233166 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_145_spg33
LiP7 Li3P7
2021-12-11 02:07:39.005782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003233166).
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 agm003233166
data_agm003233166
_cell_length_a 6.59824
_cell_length_b 6.68137
_cell_length_c 10.50213
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99995
_cell_angle_gamma 90.00000
_cell_volume 462.98930
_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
Li1 Li 0.38886 0.95572 0.07851 1.00000
Li2 Li 0.88885 0.04427 0.92150 1.00000
Li3 Li 0.38886 0.54428 0.57851 1.00000
Li4 Li 0.88885 0.45573 0.42150 1.00000
P1 P 0.25729 0.91472 0.41561 1.00000
P2 P 0.75729 0.08528 0.58439 1.00000
P3 P 0.25729 0.58528 0.91561 1.00000
P4 P 0.75729 0.41472 0.08439 1.00000
P5 P 0.24172 0.40092 0.09289 1.00000
P6 P 0.74172 0.59908 0.90711 1.00000
P7 P 0.24172 0.09908 0.59289 1.00000
P8 P 0.74172 0.90092 0.40711 1.00000
P9 P 0.99910 0.57757 0.19272 1.00000
P10 P 0.49910 0.42243 0.80728 1.00000
P11 P 0.99910 0.92243 0.69272 1.00000
P12 P 0.49910 0.07757 0.30728 1.00000
P13 P 0.49903 0.55437 0.19158 1.00000
P14 P 0.99903 0.44563 0.80842 1.00000
P15 P 0.49903 0.94563 0.69158 1.00000
P16 P 0.99903 0.05437 0.30842 1.00000
P17 P 0.01728 0.88895 0.12893 1.00000
P18 P 0.51728 0.11105 0.87107 1.00000
P19 P 0.01728 0.61105 0.62893 1.00000
P20 P 0.51728 0.38895 0.37107 1.00000
