Tm4TlRu
Alexandria ALEXAlex-ID: agm005802735 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Tm5TlRu2 Tm8Tl3Ru Tm5Ru2
2023-07-31 05:28:51.760168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802735).
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 agm005802735
data_agm005802735
_cell_length_a 6.10074
_cell_length_b 7.72656
_cell_length_c 7.72656
_cell_angle_alpha 111.99864
_cell_angle_beta 99.42702
_cell_angle_gamma 99.42702
_cell_volume 322.88477
_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 0.89291 0.64711 0.80029 1.00000
Tm2 Tm 0.04677 0.93934 0.27515 1.00000
Tm3 Tm 0.60709 0.19971 0.35289 1.00000
Tm4 Tm 0.45323 0.72485 0.06066 1.00000
Tm5 Tm 0.54677 0.27515 0.93934 1.00000
Tm6 Tm 0.39291 0.80029 0.64711 1.00000
Tm7 Tm 0.95323 0.06066 0.72485 1.00000
Tm8 Tm 0.10709 0.35289 0.19971 1.00000
Tl1 Tl 0.75000 0.62548 0.37452 1.00000
Tl2 Tl 0.25000 0.37452 0.62548 1.00000
Ru1 Ru 0.25000 0.99950 0.00050 1.00000
Ru2 Ru 0.75000 0.00050 0.99950 1.00000
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