Tl5GeSe6
Alexandria ALEXAlex-ID: agm003674992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_78_spg12
Tl2Se5 Tl4GeSe4 Tl2Se
2022-04-09 21:32:06.010314
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674992).
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 agm003674992
data_agm003674992
_cell_length_a 7.50851
_cell_length_b 7.25878
_cell_length_c 7.31941
_cell_angle_alpha 60.27362
_cell_angle_beta 80.69708
_cell_angle_gamma 70.97331
_cell_volume 327.50294
_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
Tl1 Tl 0.50000 0.17213 0.65573 1.00000
Tl2 Tl 0.00000 0.33612 0.32777 1.00000
Tl3 Tl 0.50000 0.50000 0.00000 1.00000
Tl4 Tl 0.00000 0.66388 0.67223 1.00000
Tl5 Tl 0.50000 0.82787 0.34427 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.77666 0.07463 0.31854 1.00000
Se2 Se 0.22334 0.60682 0.31854 1.00000
Se3 Se 0.22949 0.24116 0.00000 1.00000
Se4 Se 0.77051 0.75884 1.00000 1.00000
Se5 Se 0.77666 0.39318 0.68146 1.00000
Se6 Se 0.22334 0.92537 0.68146 1.00000
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