LiP4WO12
Alexandria ALEXAlex-ID: agm003243239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_65_spg12
P3WO9 LiPO3
2021-12-28 07:01:32.906703
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243239).
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 agm003243239
data_agm003243239
_cell_length_a 10.88827
_cell_length_b 10.88827
_cell_length_c 5.45430
_cell_angle_alpha 79.29463
_cell_angle_beta 79.29463
_cell_angle_gamma 70.36967
_cell_volume 593.10870
_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 0.40647 0.40647 0.49149 1.00000
Li2 Li 0.59353 0.59353 0.50851 1.00000
P1 P 0.36327 0.79268 0.83427 1.00000
P2 P 0.79268 0.36327 0.83427 1.00000
P3 P 0.93669 0.70100 0.45079 1.00000
P4 P 0.70100 0.93669 0.45079 1.00000
P5 P 0.06331 0.29900 0.54921 1.00000
P6 P 0.29900 0.06331 0.54921 1.00000
P7 P 0.20732 0.63673 0.16573 1.00000
P8 P 0.63673 0.20732 0.16573 1.00000
W1 W 0.00000 0.50000 0.00000 1.00000
W2 W 0.50000 0.00000 0.00000 1.00000
O1 O 0.76576 0.23424 0.00000 1.00000
O2 O 0.23424 0.76576 0.00000 1.00000
O3 O 0.66923 0.92102 0.73227 1.00000
O4 O 0.92102 0.66923 0.73227 1.00000
O5 O 0.16569 0.56558 0.99921 1.00000
O6 O 0.56558 0.16569 0.99921 1.00000
O7 O 0.43828 0.68433 0.68347 1.00000
O8 O 0.68433 0.43828 0.68347 1.00000
O9 O 0.28712 0.92039 0.65065 1.00000
O10 O 0.92039 0.28712 0.65065 1.00000
O11 O 0.85146 0.85146 0.37862 1.00000
O12 O 0.09826 0.38605 0.69281 1.00000
O13 O 0.38605 0.09826 0.69281 1.00000
O14 O 0.61395 0.90174 0.30719 1.00000
O15 O 0.90174 0.61395 0.30719 1.00000
O16 O 0.14854 0.14854 0.62138 1.00000
O17 O 0.07961 0.71288 0.34935 1.00000
O18 O 0.71288 0.07961 0.34935 1.00000
O19 O 0.56172 0.31567 0.31653 1.00000
O20 O 0.31567 0.56172 0.31653 1.00000
O21 O 0.43442 0.83431 0.00079 1.00000
O22 O 0.83431 0.43442 0.00079 1.00000
O23 O 0.07898 0.33077 0.26773 1.00000
O24 O 0.33077 0.07898 0.26773 1.00000
