Sm8Tl3Ga2
Alexandria ALEXAlex-ID: agm003355729 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_145_spg65
Sm5TlGa2 Sm5Tl3 SmGa
2022-02-03 05:55:06.281798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003355729).
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 agm003355729
data_agm003355729
_cell_length_a 5.50074
_cell_length_b 9.07546
_cell_length_c 9.10347
_cell_angle_alpha 119.89826
_cell_angle_beta 90.01574
_cell_angle_gamma 90.00000
_cell_volume 393.97748
_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 0.00022 0.68870 0.37739 1.00000
Sm2 Sm 0.99978 0.31130 0.62261 1.00000
Sm3 Sm 0.00007 0.11027 0.22053 1.00000
Sm4 Sm 0.99993 0.88973 0.77947 1.00000
Sm5 Sm 0.49980 0.58934 0.74707 1.00000
Sm6 Sm 0.49980 0.15773 0.74707 1.00000
Sm7 Sm 0.50020 0.84227 0.25293 1.00000
Sm8 Sm 0.50020 0.41066 0.25293 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.00000 0.32155 1.00000 1.00000
Tl3 Tl 1.00000 0.67845 0.00000 1.00000
Ga1 Ga 0.49979 0.22630 0.45261 1.00000
Ga2 Ga 0.50021 0.77370 0.54739 1.00000
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