TmF3
Alexandria ALEXAlex-ID: agm075761601 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5614_spg194
TmF3
2025-03-11 04:19:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075761601).
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 agm075761601
data_agm075761601
_cell_length_a 3.90466
_cell_length_b 6.76310
_cell_length_c 8.60733
_cell_angle_alpha 89.99479
_cell_angle_beta 89.99127
_cell_angle_gamma 89.99208
_cell_volume 227.29906
_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
Tm1 Tm 0.99997 0.49952 0.50004 1.00000
Tm2 Tm 0.00001 0.50042 0.99999 1.00000
Tm3 Tm 0.50001 0.00048 0.00002 1.00000
Tm4 Tm 0.49999 0.99960 0.49996 1.00000
F1 F 0.49997 0.66599 0.44785 1.00000
F2 F 0.50001 0.33265 0.55280 1.00000
F3 F 0.50002 0.99947 0.24999 1.00000
F4 F 0.49998 0.99948 0.74999 1.00000
F5 F 0.50005 0.33352 0.94722 1.00000
F6 F 0.49999 0.66682 0.05220 1.00000
F7 F 0.00007 0.83400 0.94778 1.00000
F8 F 0.99998 0.16730 0.05281 1.00000
F9 F 0.00000 0.16649 0.44715 1.00000
F10 F 0.99998 0.83318 0.55220 1.00000
F11 F 0.99993 0.50053 0.75001 1.00000
F12 F 0.00007 0.50056 0.25001 1.00000
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