LiPmF4
Alexandria ALEXAlex-ID: agm003734412 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
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LiPmF4
2022-04-18 15:45:09.506513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003734412).
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 agm003734412
data_agm003734412
_cell_length_a 5.31515
_cell_length_b 5.33104
_cell_length_c 6.75576
_cell_angle_alpha 113.16376
_cell_angle_beta 113.09024
_cell_angle_gamma 90.17399
_cell_volume 159.07011
_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 0.12582 0.87582 0.75165 1.00000
Li2 Li 0.87418 0.12418 0.24835 1.00000
Pm1 Pm 0.37520 0.62520 0.25039 1.00000
Pm2 Pm 0.62480 0.37480 0.74961 1.00000
F1 F 0.04473 0.23470 0.91109 1.00000
F2 F 0.76561 0.63531 0.58948 1.00000
F3 F 0.36636 0.67639 0.91109 1.00000
F4 F 0.32387 0.95417 0.58948 1.00000
F5 F 0.67613 0.04583 0.41052 1.00000
F6 F 0.63364 0.32361 0.08891 1.00000
F7 F 0.23439 0.36469 0.41052 1.00000
F8 F 0.95527 0.76530 0.08891 1.00000
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