Tb2Sm3Se5
Alexandria ALEXAlex-ID: agm040762997 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_176_spg12
Tb3Sm2Se5 TbSm4Se5
2024-12-09 15:44:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040762997).
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 agm040762997
data_agm040762997
_cell_length_a 7.18234
_cell_length_b 7.18234
_cell_length_c 10.20343
_cell_angle_alpha 61.60738
_cell_angle_beta 118.39262
_cell_angle_gamma 146.65853
_cell_volume 251.14287
_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 0.59821 0.40179 0.40037 1.00000
Tb2 Tb 0.40179 0.59821 0.59963 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.79658 0.20342 0.19796 1.00000
Sm3 Sm 0.20342 0.79658 0.80204 1.00000
Se1 Se 0.00000 0.00000 0.50000 1.00000
Se2 Se 0.40200 0.59800 0.10470 1.00000
Se3 Se 0.59800 0.40200 0.89530 1.00000
Se4 Se 0.19906 0.80094 0.30648 1.00000
Se5 Se 0.80094 0.19906 0.69352 1.00000
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