TmRh3F12
Alexandria ALEXAlex-ID: agm080960359 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_45_spg229
RhF3 TmF3
2025-02-25 06:59:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080960359).
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
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# CIF generated by HEAS from Alexandria entry agm080960359
data_agm080960359
_cell_length_a 6.70179
_cell_length_b 6.70942
_cell_length_c 6.70646
_cell_angle_alpha 109.49160
_cell_angle_beta 109.46173
_cell_angle_gamma 109.46711
_cell_volume 232.11903
_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 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Rh2 Rh 0.50000 0.50000 0.00000 1.00000
Rh3 Rh 0.50000 0.00000 0.50000 1.00000
F1 F 0.81706 0.19744 0.51456 1.00000
F2 F 0.12272 0.32523 0.31620 1.00000
F3 F 0.87728 0.67477 0.68380 1.00000
F4 F 0.18294 0.80256 0.48544 1.00000
F5 F 0.80659 0.79715 0.12241 1.00000
F6 F 0.30253 0.61952 0.81691 1.00000
F7 F 0.69747 0.38048 0.18309 1.00000
F8 F 0.19341 0.20285 0.87759 1.00000
F9 F 0.68354 0.00885 0.80641 1.00000
F10 F 0.48549 0.68298 0.30240 1.00000
F11 F 0.51451 0.31702 0.69760 1.00000
F12 F 0.31646 0.99115 0.19359 1.00000
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