LiCr(PO3)4
Alexandria ALEXAlex-ID: agm005240355 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_17_spg15
LiPO3 Cr(PO3)3
2022-12-13 07:14:01.294880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240355).
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 agm005240355
data_agm005240355
_cell_length_a 8.51092
_cell_length_b 8.51092
_cell_length_c 9.69498
_cell_angle_alpha 61.88661
_cell_angle_beta 61.88661
_cell_angle_gamma 51.11484
_cell_volume 466.14922
_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 0.69297 0.30703 0.75000 1.00000
Li2 Li 0.30703 0.69297 0.25000 1.00000
Cr1 Cr 0.13511 0.86489 0.75000 1.00000
Cr2 Cr 0.86489 0.13511 0.25000 1.00000
P1 P 0.03001 0.70047 0.15617 1.00000
P2 P 0.44799 0.28975 0.14048 1.00000
P3 P 0.71025 0.55201 0.35952 1.00000
P4 P 0.29953 0.96999 0.34383 1.00000
P5 P 0.70047 0.03001 0.65617 1.00000
P6 P 0.28975 0.44799 0.64048 1.00000
P7 P 0.55201 0.71025 0.85952 1.00000
P8 P 0.96999 0.29953 0.84383 1.00000
O1 O 0.60058 0.21133 0.22758 1.00000
O2 O 0.24031 0.49327 0.20193 1.00000
O3 O 0.02690 0.75294 0.98636 1.00000
O4 O 0.85949 0.64426 0.28062 1.00000
O5 O 0.99110 0.14424 0.79183 1.00000
O6 O 0.35574 0.14051 0.21938 1.00000
O7 O 0.24706 0.97310 0.51364 1.00000
O8 O 0.67385 0.49136 0.53686 1.00000
O9 O 0.50864 0.32615 0.96314 1.00000
O10 O 0.50673 0.75969 0.29807 1.00000
O11 O 0.78867 0.39942 0.27242 1.00000
O12 O 0.85576 0.00890 0.70817 1.00000
O13 O 0.14424 0.99110 0.29183 1.00000
O14 O 0.21133 0.60058 0.72758 1.00000
O15 O 0.49327 0.24031 0.70193 1.00000
O16 O 0.49136 0.67385 0.03686 1.00000
O17 O 0.32615 0.50864 0.46314 1.00000
O18 O 0.75294 0.02690 0.48636 1.00000
O19 O 0.64426 0.85949 0.78062 1.00000
O20 O 0.00890 0.85576 0.20817 1.00000
O21 O 0.14051 0.35574 0.71938 1.00000
O22 O 0.97310 0.24706 0.01364 1.00000
O23 O 0.75969 0.50673 0.79807 1.00000
O24 O 0.39942 0.78867 0.77242 1.00000
