Sm6Bi3Te2Pb
Alexandria ALEXAlex-ID: agm004615196 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Sm4BiTe2Pb Sm6Bi5Te Sm2TePb
2022-06-30 06:46:31.917783
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615196).
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 agm004615196
data_agm004615196
_cell_length_a 4.52510
_cell_length_b 9.04724
_cell_length_c 10.09628
_cell_angle_alpha 102.83976
_cell_angle_beta 102.94981
_cell_angle_gamma 90.00000
_cell_volume 392.21352
_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 0.33555 0.91986 0.67109 1.00000
Sm2 Sm 0.66558 0.58521 0.33116 1.00000
Sm3 Sm 0.66445 0.08014 0.32891 1.00000
Sm4 Sm 0.99981 0.24578 0.99962 1.00000
Sm5 Sm 0.00019 0.75422 0.00038 1.00000
Sm6 Sm 0.33442 0.41479 0.66884 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Bi2 Bi 0.83183 0.16708 0.66367 1.00000
Bi3 Bi 0.16817 0.83292 0.33633 1.00000
Te1 Te 0.83268 0.66517 0.66536 1.00000
Te2 Te 0.16732 0.33483 0.33464 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Get direct link