Tm4BiRu
Alexandria ALEXAlex-ID: agm005803445 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Tm3Ru Tm5Bi2Ru
2023-07-31 05:17:54.546137
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803445).
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 agm005803445
data_agm005803445
_cell_length_a 6.10258
_cell_length_b 7.94857
_cell_length_c 7.94857
_cell_angle_alpha 112.33872
_cell_angle_beta 102.04966
_cell_angle_gamma 102.04967
_cell_volume 330.60439
_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 0.85803 0.65366 0.79856 1.00000
Tm2 Tm 0.06296 0.94230 0.27447 1.00000
Tm3 Tm 0.64197 0.20144 0.34634 1.00000
Tm4 Tm 0.43704 0.72553 0.05770 1.00000
Tm5 Tm 0.56296 0.27447 0.94230 1.00000
Tm6 Tm 0.35803 0.79856 0.65366 1.00000
Tm7 Tm 0.93704 0.05770 0.72553 1.00000
Tm8 Tm 0.14197 0.34634 0.20144 1.00000
Bi1 Bi 0.75000 0.62695 0.37305 1.00000
Bi2 Bi 0.25000 0.37305 0.62695 1.00000
Ru1 Ru 0.25000 0.00035 0.99965 1.00000
Ru2 Ru 0.75000 0.99965 0.00035 1.00000
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