Sm6Te3As2Br
Alexandria ALEXAlex-ID: agm004596909 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Sm3Te2 Sm2TeAs Sm2AsBr2 SmTe
2022-06-26 07:11:09.622787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004596909).
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 agm004596909
data_agm004596909
_cell_length_a 4.30389
_cell_length_b 8.76238
_cell_length_c 9.73084
_cell_angle_alpha 103.05985
_cell_angle_beta 102.77639
_cell_angle_gamma 90.00000
_cell_volume 348.14655
_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 0.32663 0.88324 0.65325 1.00000
Sm2 Sm 0.67392 0.56739 0.34785 1.00000
Sm3 Sm 0.67337 0.11676 0.34675 1.00000
Sm4 Sm 0.01409 0.26107 0.02818 1.00000
Sm5 Sm 0.98591 0.73893 0.97182 1.00000
Sm6 Sm 0.32608 0.43261 0.65215 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.84039 0.16390 0.68078 1.00000
Te3 Te 0.15961 0.83610 0.31922 1.00000
As1 As 0.83115 0.66359 0.66229 1.00000
As2 As 0.16886 0.33641 0.33771 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
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