LiCr(PO3)4
Alexandria ALEXAlex-ID: agm005226424 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_89_spg15
LiPO3 Cr(PO3)3
2022-12-13 10:36:20.712181
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226424).
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 agm005226424
data_agm005226424
_cell_length_a 8.18249
_cell_length_b 8.18249
_cell_length_c 9.82503
_cell_angle_alpha 69.89691
_cell_angle_beta 69.89691
_cell_angle_gamma 57.81150
_cell_volume 512.00627
_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 0.00000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.38857 0.61143 0.75000 1.00000
Cr2 Cr 0.61143 0.38857 0.25000 1.00000
P1 P 0.30290 0.39756 0.10029 1.00000
P2 P 0.66066 0.01940 0.15287 1.00000
P3 P 0.98060 0.33934 0.34713 1.00000
P4 P 0.60244 0.69710 0.39971 1.00000
P5 P 0.39756 0.30290 0.60029 1.00000
P6 P 0.01940 0.66066 0.65287 1.00000
P7 P 0.33934 0.98060 0.84713 1.00000
P8 P 0.69710 0.60244 0.89971 1.00000
O1 O 0.73552 0.14080 0.17673 1.00000
O2 O 0.27122 0.49611 0.94534 1.00000
O3 O 0.09723 0.40395 0.18921 1.00000
O4 O 0.44967 0.16537 0.10565 1.00000
O5 O 0.63351 0.51804 0.82469 1.00000
O6 O 0.83463 0.55033 0.39435 1.00000
O7 O 0.59605 0.90277 0.31079 1.00000
O8 O 0.10661 0.19179 0.45592 1.00000
O9 O 0.50389 0.72878 0.55466 1.00000
O10 O 0.80821 0.89339 0.04408 1.00000
O11 O 0.85920 0.26448 0.32327 1.00000
O12 O 0.48196 0.36649 0.67531 1.00000
O13 O 0.51804 0.63351 0.32469 1.00000
O14 O 0.14080 0.73552 0.67673 1.00000
O15 O 0.19179 0.10661 0.95592 1.00000
O16 O 0.49611 0.27122 0.44534 1.00000
O17 O 0.89339 0.80821 0.54408 1.00000
O18 O 0.40395 0.09723 0.68921 1.00000
O19 O 0.16537 0.44967 0.60565 1.00000
O20 O 0.36649 0.48196 0.17531 1.00000
O21 O 0.55033 0.83463 0.89435 1.00000
O22 O 0.90277 0.59605 0.81079 1.00000
O23 O 0.72878 0.50389 0.05466 1.00000
O24 O 0.26448 0.85920 0.82327 1.00000
