Tb2Sm(AgSe2)3
Alexandria ALEXAlex-ID: agm040434493 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Sm10Se19 Ag2Se TbAgSe2 Ag
2024-10-28 16:15:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040434493).
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 agm040434493
data_agm040434493
_cell_length_a 7.30571
_cell_length_b 7.30571
_cell_length_c 6.88597
_cell_angle_alpha 79.81475
_cell_angle_beta 100.18525
_cell_angle_gamma 59.99101
_cell_volume 297.68551
_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 0.33313 0.33313 0.00000 1.00000
Tb2 Tb 0.66687 0.66687 0.00000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.16549 0.16549 0.50000 1.00000
Ag2 Ag 0.83451 0.83451 0.50000 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.42029 0.91725 0.24793 1.00000
Se2 Se 0.25472 0.74528 0.75092 1.00000
Se3 Se 0.57971 0.08275 0.75207 1.00000
Se4 Se 0.08275 0.57971 0.24793 1.00000
Se5 Se 0.74528 0.25472 0.24908 1.00000
Se6 Se 0.91725 0.42029 0.75207 1.00000
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