TcSbSe
Alexandria ALEXAlex-ID: agm005653850 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11116_spg43
TcSb2 TcSe2
2023-06-18 10:48:38.897114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653850).
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 agm005653850
data_agm005653850
_cell_length_a 6.67523
_cell_length_b 6.67524
_cell_length_c 7.29893
_cell_angle_alpha 102.25510
_cell_angle_beta 102.25509
_cell_angle_gamma 122.39858
_cell_volume 246.51505
_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
Tc1 Tc 0.94683 0.95991 0.48369 1.00000
Tc2 Tc 0.21315 0.72623 0.01631 1.00000
Tc3 Tc 0.47623 0.46315 0.51631 1.00000
Tc4 Tc 0.70991 0.19683 0.98369 1.00000
Sb1 Sb 0.12901 0.45223 0.65073 1.00000
Sb2 Sb 0.20223 0.37901 0.15073 1.00000
Sb3 Sb 0.22827 0.05149 0.84927 1.00000
Sb4 Sb 0.80149 0.47827 0.34927 1.00000
Se1 Se 0.67960 0.88514 0.14060 1.00000
Se2 Se 0.28901 0.99455 0.35940 1.00000
Se3 Se 0.63514 0.92960 0.64060 1.00000
Se4 Se 0.74455 0.53901 0.85940 1.00000
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