LiCr(PO3)4
Alexandria ALEXAlex-ID: agm005268607 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
LiPO3 Cr(PO3)3
2022-12-13 06:31:18.471483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268607).
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 agm005268607
data_agm005268607
_cell_length_a 7.24548
_cell_length_b 7.24548
_cell_length_c 10.04435
_cell_angle_alpha 66.25002
_cell_angle_beta 66.25002
_cell_angle_gamma 69.82218
_cell_volume 431.13176
_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 0.50000 0.50000 1.00000
Li2 Li 0.50000 0.00000 0.00000 1.00000
Cr1 Cr 0.05238 0.94762 0.25000 1.00000
Cr2 Cr 0.94762 0.05238 0.75000 1.00000
P1 P 0.26515 0.74724 0.52378 1.00000
P2 P 0.68954 0.71546 0.30511 1.00000
P3 P 0.28454 0.31046 0.19489 1.00000
P4 P 0.25276 0.73485 0.97622 1.00000
P5 P 0.74724 0.26515 0.02378 1.00000
P6 P 0.71546 0.68954 0.80511 1.00000
P7 P 0.31046 0.28454 0.69489 1.00000
P8 P 0.73485 0.25276 0.47622 1.00000
O1 O 0.19108 0.73207 0.40790 1.00000
O2 O 0.35828 0.17961 0.84019 1.00000
O3 O 0.25775 0.12365 0.17686 1.00000
O4 O 0.28237 0.53079 0.65526 1.00000
O5 O 0.50030 0.77114 0.44938 1.00000
O6 O 0.14936 0.91434 0.59646 1.00000
O7 O 0.22886 0.49970 0.05062 1.00000
O8 O 0.17961 0.35828 0.34019 1.00000
O9 O 0.73207 0.19108 0.90790 1.00000
O10 O 0.08566 0.85064 0.90354 1.00000
O11 O 0.87635 0.74225 0.32314 1.00000
O12 O 0.53079 0.28237 0.15526 1.00000
O13 O 0.46921 0.71763 0.84474 1.00000
O14 O 0.12365 0.25775 0.67686 1.00000
O15 O 0.91434 0.14936 0.09646 1.00000
O16 O 0.26793 0.80892 0.09210 1.00000
O17 O 0.82039 0.64172 0.65981 1.00000
O18 O 0.77114 0.50030 0.94938 1.00000
O19 O 0.85064 0.08566 0.40354 1.00000
O20 O 0.49970 0.22886 0.55062 1.00000
O21 O 0.71763 0.46921 0.34474 1.00000
O22 O 0.74225 0.87635 0.82314 1.00000
O23 O 0.64172 0.82039 0.15981 1.00000
O24 O 0.80892 0.26793 0.59210 1.00000
