LiCr2P2(O4F)2
Alexandria ALEXAlex-ID: agm010349982 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E8_29_spg1
CrPO4 LiCrPO4F LiCrP2O7 LiO8 CrF3
2024-12-11 01:42:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010349982).
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 agm010349982
data_agm010349982
_cell_length_a 5.27002
_cell_length_b 5.22200
_cell_length_c 7.32398
_cell_angle_alpha 106.54516
_cell_angle_beta 109.56267
_cell_angle_gamma 97.90279
_cell_volume 175.90504
_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 0.43097 0.07801 0.82403 1.00000
Cr1 Cr 0.49857 0.49467 0.49665 1.00000
Cr2 Cr 0.00267 0.00374 0.00337 1.00000
P1 P 0.88341 0.55916 0.23365 1.00000
P2 P 0.11354 0.44477 0.76321 1.00000
O1 O 0.84840 0.71524 0.08208 1.00000
O2 O 0.19112 0.64680 0.39088 1.00000
O3 O 0.70371 0.64167 0.35796 1.00000
O4 O 0.20211 0.76413 0.86791 1.00000
O5 O 0.78407 0.24497 0.10424 1.00000
O6 O 0.30460 0.34834 0.64903 1.00000
O7 O 0.80307 0.34189 0.61398 1.00000
O8 O 0.16802 0.29693 0.92324 1.00000
F1 F 0.66780 0.85486 0.73526 1.00000
F2 F 0.32547 0.14577 0.26592 1.00000
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