Sm2Tm2Ru3
Alexandria ALEXAlex-ID: agm009590507 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_489_spg2
Sm7Ru3 TmRu2 Tm4Ru3
2024-03-31 23:09:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009590507).
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 agm009590507
data_agm009590507
_cell_length_a 6.69747
_cell_length_b 6.69747
_cell_length_c 6.23684
_cell_angle_alpha 68.26096
_cell_angle_beta 68.26096
_cell_angle_gamma 40.35262
_cell_volume 166.44334
_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
Sm1 Sm 0.16406 0.16406 0.72247 1.00000
Sm2 Sm 0.83594 0.83594 0.27753 1.00000
Tm1 Tm 0.57753 0.57753 0.20439 1.00000
Tm2 Tm 0.42247 0.42247 0.79561 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Ru2 Ru 0.79389 0.79389 0.80762 1.00000
Ru3 Ru 0.20611 0.20611 0.19238 1.00000
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