TlSbSe2
Alexandria ALEXAlex-ID: agm002185239 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_678_spg2
TlSbSe2
2018-05-21 10:23:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002185239).
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 agm002185239
data_agm002185239
_cell_length_a 6.46328
_cell_length_b 6.70271
_cell_length_c 12.47134
_cell_angle_alpha 102.16250
_cell_angle_beta 96.42071
_cell_angle_gamma 105.22589
_cell_volume 501.54417
_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
Sb1 Sb 0.60680 0.20920 0.15813 1.00000
Sb2 Sb 0.03759 0.21133 0.40813 1.00000
Sb3 Sb 0.39320 0.79080 0.84187 1.00000
Sb4 Sb 0.96241 0.78867 0.59187 1.00000
Tl1 Tl 0.91016 0.72377 0.08586 1.00000
Tl2 Tl 0.08984 0.27623 0.91414 1.00000
Tl3 Tl 0.43138 0.69800 0.33509 1.00000
Tl4 Tl 0.56862 0.30200 0.66491 1.00000
Se1 Se 0.02878 0.20030 0.63967 1.00000
Se2 Se 0.97122 0.79970 0.36033 1.00000
Se3 Se 0.36830 0.77463 0.61454 1.00000
Se4 Se 0.63170 0.22537 0.38546 1.00000
Se5 Se 0.97734 0.77315 0.82502 1.00000
Se6 Se 0.42270 0.80151 0.09228 1.00000
Se7 Se 0.57730 0.19849 0.90772 1.00000
Se8 Se 0.02266 0.22685 0.17498 1.00000
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