Li2PmTlF8
Alexandria ALEXAlex-ID: agm004875644 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_762_spg12
LiPmF4 LiTlF4
2023-01-01 22:26:08.586775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875644).
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 agm004875644
data_agm004875644
_cell_length_a 3.85733
_cell_length_b 5.52923
_cell_length_c 7.87797
_cell_angle_alpha 88.95973
_cell_angle_beta 90.14994
_cell_angle_gamma 72.44305
_cell_volume 160.16287
_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 0.67509 0.59589 0.76407 1.00000
Li2 Li 0.32491 0.40411 0.23593 1.00000
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
F1 F 0.11788 0.76094 0.24875 1.00000
F2 F 0.61346 0.75595 0.98695 1.00000
F3 F 0.88400 0.25295 0.24052 1.00000
F4 F 0.88212 0.23906 0.75125 1.00000
F5 F 0.38654 0.24405 0.01305 1.00000
F6 F 0.11600 0.74705 0.75948 1.00000
F7 F 0.60984 0.75185 0.53004 1.00000
F8 F 0.39016 0.24815 0.46996 1.00000
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