Tm6TlRu5
Alexandria ALEXAlex-ID: agm006136355 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Tm3TlRu2 Tm4Ru3 TmRu2
2023-09-04 19:08:55.842319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136355).
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 agm006136355
data_agm006136355
_cell_length_a 4.81611
_cell_length_b 6.89197
_cell_length_c 7.59530
_cell_angle_alpha 89.99980
_cell_angle_beta 108.42319
_cell_angle_gamma 90.00004
_cell_volume 239.18609
_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
Ru1 Ru 0.66628 0.50000 0.33245 1.00000
Ru2 Ru 0.33550 1.00000 0.67119 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
Ru4 Ru 0.66450 0.00000 0.32881 1.00000
Ru5 Ru 0.33372 0.50000 0.66755 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.82626 0.74299 0.65264 1.00000
Tm2 Tm 0.82626 0.25700 0.65263 1.00000
Tm3 Tm 0.50000 0.26936 1.00000 1.00000
Tm4 Tm 0.50000 0.73064 0.00000 1.00000
Tm5 Tm 0.17374 0.74300 0.34737 1.00000
Tm6 Tm 0.17374 0.25701 0.34736 1.00000
Get direct link