Tb3Sm(YSb3)2
Alexandria ALEXAlex-ID: agm044463542 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_598_spg1
TbSm3Sb4 Tb3YSb4 TbY3Sb4
2024-12-12 09:33:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044463542).
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
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# CIF generated by HEAS from Alexandria entry agm044463542
data_agm044463542
_cell_length_a 9.85742
_cell_length_b 9.85742
_cell_length_c 8.82182
_cell_angle_alpha 77.07057
_cell_angle_beta 102.92943
_cell_angle_gamma 154.13602
_cell_volume 363.95677
_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
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.83396 0.16604 0.16711 1.00000
Tb3 Tb 0.16604 0.83396 0.83289 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.83290 0.16710 0.66626 1.00000
Y2 Y 0.16710 0.83290 0.33374 1.00000
Sb1 Sb 0.33199 0.66801 0.91554 1.00000
Sb2 Sb 0.66673 0.33327 0.58299 1.00000
Sb3 Sb 0.66801 0.33199 0.08446 1.00000
Sb4 Sb 0.00055 0.99945 0.25337 1.00000
Sb5 Sb 0.99945 0.00055 0.74663 1.00000
Sb6 Sb 0.33327 0.66673 0.41701 1.00000
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