Tb12Sm5Y
Alexandria ALEXAlex-ID: agm013979795 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_128_spg12
Tb5Y TbSm4Y Tb2Sm
2025-03-02 05:55:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013979795).
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 agm013979795
data_agm013979795
_cell_length_a 10.26927
_cell_length_b 10.26927
_cell_length_c 6.24441
_cell_angle_alpha 84.21644
_cell_angle_beta 95.78356
_cell_angle_gamma 116.22310
_cell_volume 586.57205
_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 0.16733 0.16704 0.38854 1.00000
Tb2 Tb 0.83296 0.83267 0.38854 1.00000
Tb3 Tb 0.33253 0.33239 0.88866 1.00000
Tb4 Tb 0.66761 0.66747 0.88866 1.00000
Tb5 Tb 0.66687 0.99906 0.00013 1.00000
Tb6 Tb 0.00094 0.33313 0.00013 1.00000
Tb7 Tb 0.99913 0.66617 0.11073 1.00000
Tb8 Tb 0.33383 0.00087 0.11073 1.00000
Tb9 Tb 0.49938 0.16568 0.61181 1.00000
Tb10 Tb 0.16606 0.49911 0.50005 1.00000
Tb11 Tb 0.83432 0.50062 0.61181 1.00000
Tb12 Tb 0.50089 0.83394 0.50005 1.00000
Sm1 Sm 0.50029 0.49971 0.39157 1.00000
Sm2 Sm 0.83402 0.16598 0.50006 1.00000
Sm3 Sm 0.16615 0.83385 0.60777 1.00000
Sm4 Sm 0.33308 0.66692 0.99982 1.00000
Sm5 Sm 0.66654 0.33346 0.11042 1.00000
Y1 Y 0.00041 0.99959 0.89093 1.00000
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