Sm6AlTc2
Alexandria ALEXAlex-ID: agm005807991 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
SmAlTc Sm2AlTc3 Sm
2023-07-06 11:19:42.217684
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807991).
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 agm005807991
data_agm005807991
_cell_length_a 8.61978
_cell_length_b 8.61978
_cell_length_c 8.61978
_cell_angle_alpha 104.27095
_cell_angle_beta 112.41033
_cell_angle_gamma 111.85478
_cell_volume 490.00062
_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 0.53746 0.72327 0.81420 1.00000
Sm2 Sm 0.46254 0.27673 0.18580 1.00000
Sm3 Sm 0.09093 0.27673 0.81419 1.00000
Sm4 Sm 0.90907 0.72327 0.18581 1.00000
Sm5 Sm 0.80203 0.75437 0.55640 1.00000
Sm6 Sm 0.19797 0.24563 0.44360 1.00000
Sm7 Sm 0.19797 0.75437 0.95233 1.00000
Sm8 Sm 0.80203 0.24563 0.04767 1.00000
Sm9 Sm 0.68814 0.35774 0.66960 1.00000
Sm10 Sm 0.31186 0.64226 0.33040 1.00000
Sm11 Sm 0.31186 0.98145 0.66960 1.00000
Sm12 Sm 0.68814 0.01855 0.33040 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.50000 0.38767 0.88767 1.00000
Tc2 Tc 0.50000 0.61233 0.11233 1.00000
Tc3 Tc 0.68572 1.00000 0.68572 1.00000
Tc4 Tc 0.31428 0.00000 0.31428 1.00000
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