Tb2YF8
Alexandria ALEXAlex-ID: agm003527751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_368_spg12
YF3 Y TbF3
2023-03-25 16:29:55.818120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003527751).
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 agm003527751
data_agm003527751
_cell_length_a 3.60391
_cell_length_b 5.63004
_cell_length_c 7.82092
_cell_angle_alpha 109.75004
_cell_angle_beta 103.32074
_cell_angle_gamma 90.00000
_cell_volume 144.80874
_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
Tb1 Tb 0.82136 0.31863 0.64272 1.00000
Tb2 Tb 0.17864 0.68137 0.35728 1.00000
Y1 Y 0.50000 0.00000 0.00000 1.00000
F1 F 0.40166 0.56032 0.80332 1.00000
F2 F 0.68018 0.95976 0.36037 1.00000
F3 F 0.77864 0.67123 0.55729 1.00000
F4 F 0.95240 0.21725 0.90480 1.00000
F5 F 0.22136 0.32877 0.44271 1.00000
F6 F 0.31982 0.04024 0.63963 1.00000
F7 F 0.59834 0.43968 0.19668 1.00000
F8 F 0.04760 0.78275 0.09520 1.00000
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