LiVCrP2(O4F)2
Alexandria ALEXAlex-ID: agm005226809 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F8_2_spg1
LiCrPO4F LiV2(PO4)3 CrF3
2022-12-12 12:46:58.600623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226809).
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 agm005226809
data_agm005226809
_cell_length_a 5.34510
_cell_length_b 5.15307
_cell_length_c 7.37895
_cell_angle_alpha 109.23869
_cell_angle_beta 107.58021
_cell_angle_gamma 97.22499
_cell_volume 177.10755
_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 0.61637 0.25663 0.17737 1.00000
V1 V 0.00498 0.00450 0.99400 1.00000
Cr1 Cr 0.00944 0.00549 0.50275 1.00000
P1 P 0.64310 0.33114 0.75510 1.00000
P2 P 0.36764 0.68921 0.24521 1.00000
O1 O 0.34325 0.31672 0.66629 1.00000
O2 O 0.77371 0.24757 0.59380 1.00000
O3 O 0.78534 0.65378 0.90341 1.00000
O4 O 0.33736 0.88880 0.12507 1.00000
O5 O 0.69876 0.16797 0.90279 1.00000
O6 O 0.24185 0.36846 0.08928 1.00000
O7 O 0.22691 0.75074 0.40019 1.00000
O8 O 0.66912 0.68826 0.33467 1.00000
F1 F 0.94122 0.12258 0.25990 1.00000
F2 F 0.07007 0.89265 0.73912 1.00000
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