LiPO4
Alexandria ALEXAlex-ID: agm005291127 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_909_spg146
P2O5 LiPO3 LiO8
2023-05-07 14:59:38.531653
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005291127).
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 agm005291127
data_agm005291127
_cell_length_a 7.39784
_cell_length_b 7.39784
_cell_length_c 7.39784
_cell_angle_alpha 114.26260
_cell_angle_beta 114.26260
_cell_angle_gamma 114.26260
_cell_volume 241.11423
_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 0.58087 0.72174 0.29286 1.00000
Li2 Li 0.72174 0.29286 0.58087 1.00000
Li3 Li 0.29286 0.58087 0.72174 1.00000
P1 P 0.89806 0.97131 0.15936 1.00000
P2 P 0.97131 0.15936 0.89806 1.00000
P3 P 0.15936 0.89806 0.97131 1.00000
O1 O 0.96565 0.80288 0.02966 1.00000
O2 O 0.80288 0.02966 0.96565 1.00000
O3 O 0.02966 0.96565 0.80288 1.00000
O4 O 0.63562 0.76614 0.07522 1.00000
O5 O 0.76614 0.07522 0.63562 1.00000
O6 O 0.07522 0.63562 0.76614 1.00000
O7 O 0.14975 0.23284 0.45556 1.00000
O8 O 0.23284 0.45556 0.14975 1.00000
O9 O 0.45556 0.14975 0.23284 1.00000
O10 O 0.44921 0.12852 0.68314 1.00000
O11 O 0.12852 0.68314 0.44921 1.00000
O12 O 0.68314 0.44921 0.12852 1.00000
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