Tm3Mg2Ru
Alexandria ALEXAlex-ID: agm005708642 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2157_spg65
TmMg2 Tm2Mg2Ru Tm3Ru
2023-08-22 13:39:21.299812
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708642).
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 agm005708642
data_agm005708642
_cell_length_a 4.93950
_cell_length_b 7.75201
_cell_length_c 7.89741
_cell_angle_alpha 89.99970
_cell_angle_beta 89.99907
_cell_angle_gamma 71.42205
_cell_volume 286.64257
_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 0.82509 0.34979 0.79247 1.00000
Tm2 Tm 0.49999 0.00000 0.21884 1.00000
Tm3 Tm 0.17491 0.65021 0.20753 1.00000
Tm4 Tm 0.82513 0.34979 0.20753 1.00000
Tm5 Tm 0.17487 0.65021 0.79247 1.00000
Tm6 Tm 0.50001 1.00000 0.78116 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.33279 0.33442 0.50000 1.00000
Mg4 Mg 0.66721 0.66558 0.50000 1.00000
Ru1 Ru 0.33954 0.32092 0.00000 1.00000
Ru2 Ru 0.66046 0.67908 1.00000 1.00000
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