LiP2WO7
Alexandria ALEXAlex-ID: agm005268053 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_27_spg14
Li4P2O7 P2WO7 W
2024-10-15 17:59:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268053).
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 agm005268053
data_agm005268053
_cell_length_a 5.09937
_cell_length_b 8.57560
_cell_length_c 13.92221
_cell_angle_alpha 64.41327
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 549.11465
_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 0.25323 0.42099 0.69442 1.00000
Li2 Li 0.75323 0.57901 0.80558 1.00000
Li3 Li 0.24677 0.42099 0.19442 1.00000
Li4 Li 0.74677 0.57901 0.30558 1.00000
P1 P 0.76407 0.18118 0.85153 1.00000
P2 P 0.24348 0.70128 0.37835 1.00000
P3 P 0.26407 0.81882 0.64847 1.00000
P4 P 0.25652 0.70128 0.87835 1.00000
P5 P 0.74348 0.29872 0.12165 1.00000
P6 P 0.73593 0.18118 0.35153 1.00000
P7 P 0.75652 0.29872 0.62165 1.00000
P8 P 0.23593 0.81882 0.14847 1.00000
W1 W 0.24970 0.26563 0.97132 1.00000
W2 W 0.74970 0.73437 0.52868 1.00000
W3 W 0.25030 0.26563 0.47132 1.00000
W4 W 0.75030 0.73437 0.02868 1.00000
O1 O 0.04949 0.24781 0.83865 1.00000
O2 O 0.57744 0.32269 0.85517 1.00000
O3 O 0.63696 0.46663 0.61788 1.00000
O4 O 0.94608 0.68361 0.40109 1.00000
O5 O 0.29384 0.83990 0.25674 1.00000
O6 O 0.38758 0.77334 0.44488 1.00000
O7 O 0.29002 0.99318 0.06027 1.00000
O8 O 0.13696 0.53337 0.88212 1.00000
O9 O 0.07744 0.67731 0.64483 1.00000
O10 O 0.54949 0.75219 0.66135 1.00000
O11 O 0.79002 0.00682 0.43973 1.00000
O12 O 0.55392 0.68361 0.90109 1.00000
O13 O 0.88758 0.22666 0.05512 1.00000
O14 O 0.79384 0.16010 0.24326 1.00000
O15 O 0.20616 0.83990 0.75674 1.00000
O16 O 0.11242 0.77334 0.94488 1.00000
O17 O 0.44608 0.31639 0.09891 1.00000
O18 O 0.20998 0.99318 0.56027 1.00000
O19 O 0.45051 0.24781 0.33865 1.00000
O20 O 0.92256 0.32269 0.35517 1.00000
O21 O 0.86304 0.46663 0.11788 1.00000
O22 O 0.70998 0.00682 0.93973 1.00000
O23 O 0.61242 0.22666 0.55512 1.00000
O24 O 0.70616 0.16010 0.74326 1.00000
O25 O 0.05392 0.31639 0.59891 1.00000
O26 O 0.36304 0.53337 0.38212 1.00000
O27 O 0.42256 0.67731 0.14483 1.00000
O28 O 0.95051 0.75219 0.16135 1.00000
