SmReTc2
Alexandria ALEXAlex-ID: agm005683296 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9009_spg74
Sm2Re3Tc Tc SmTc2
2023-07-13 17:00:27.433666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683296).
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 agm005683296
data_agm005683296
_cell_length_a 9.18151
_cell_length_b 9.18175
_cell_length_c 6.75618
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 43.09861
_cell_volume 389.15632
_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 1.00000 0.25000 0.62480 1.00000
Sm2 Sm 0.50000 0.75000 0.12517 1.00000
Sm3 Sm 0.00000 0.75000 0.37520 1.00000
Sm4 Sm 0.50000 0.25000 0.87483 1.00000
Re1 Re 0.50000 0.75000 0.62516 1.00000
Re2 Re 0.50000 0.25000 0.37484 1.00000
Re3 Re 0.00000 0.25000 0.12484 1.00000
Re4 Re 1.00000 0.75000 0.87516 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.50000 0.50000 0.50000 1.00000
Tc3 Tc 0.25015 0.74982 0.75016 1.00000
Tc4 Tc 0.74985 0.25018 0.24984 1.00000
Tc5 Tc 0.74985 0.75018 0.75016 1.00000
Tc6 Tc 0.25015 0.24982 0.24984 1.00000
Tc7 Tc 0.00000 0.50000 0.00000 1.00000
Tc8 Tc 0.50000 0.00000 0.50000 1.00000
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