Tm3Re7Ru2
Alexandria ALEXAlex-ID: agm025208914 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_62_spg12
Tm2ReRu3 Re5Ru2 TmRe2
2025-05-17 11:05:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025208914).
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 agm025208914
data_agm025208914
_cell_length_a 9.35866
_cell_length_b 9.35866
_cell_length_c 9.35866
_cell_angle_alpha 32.88654
_cell_angle_beta 32.88653
_cell_angle_gamma 32.88654
_cell_volume 215.01682
_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
Tm2 Tm 0.14371 0.14371 0.14371 1.00000
Tm3 Tm 0.85629 0.85629 0.85629 1.00000
Re1 Re 0.50000 0.50000 0.50000 1.00000
Re2 Re 0.07558 0.58815 0.58815 1.00000
Re3 Re 0.58815 0.58815 0.07558 1.00000
Re4 Re 0.58815 0.07558 0.58815 1.00000
Re5 Re 0.92442 0.41185 0.41185 1.00000
Re6 Re 0.41185 0.92442 0.41185 1.00000
Re7 Re 0.41185 0.41185 0.92442 1.00000
Ru1 Ru 0.33745 0.33745 0.33745 1.00000
Ru2 Ru 0.66255 0.66255 0.66255 1.00000
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