LaCeF7
Alexandria ALEXAlex-ID: agm024133101 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_80_spg2
LaCe3F15 LaF3
2024-11-01 19:13:52.216842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024133101).
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 agm024133101
data_agm024133101
_cell_length_a 6.24924
_cell_length_b 6.50284
_cell_length_c 8.85786
_cell_angle_alpha 76.75786
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 350.39297
_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
La1 La 0.70283 0.84776 0.18800 1.00000
La2 La 0.20283 0.15224 0.81200 1.00000
Ce1 Ce 0.70349 0.68528 0.72514 1.00000
Ce2 Ce 0.20349 0.31472 0.27486 1.00000
F1 F 0.94934 0.00161 0.99816 1.00000
F2 F 0.44934 0.99839 0.00184 1.00000
F3 F 0.43791 0.56985 0.25558 1.00000
F4 F 0.93791 0.43015 0.74442 1.00000
F5 F 0.96219 0.56408 0.25533 1.00000
F6 F 0.46219 0.43592 0.74467 1.00000
F7 F 0.95220 0.07631 0.29398 1.00000
F8 F 0.45220 0.92369 0.70602 1.00000
F9 F 0.70214 0.72541 0.47570 1.00000
F10 F 0.20214 0.27459 0.52430 1.00000
F11 F 0.70169 0.64127 0.97445 1.00000
F12 F 0.20169 0.35873 0.02555 1.00000
F13 F 0.46459 0.08628 0.29315 1.00000
F14 F 0.96459 0.91372 0.70685 1.00000
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