Tl3In3Ge
Alexandria ALEXAlex-ID: agm005962971 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_757_spg12
Tl6In In Ge
2023-08-05 08:27:52.328088
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962971).
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 agm005962971
data_agm005962971
_cell_length_a 6.09476
_cell_length_b 6.09476
_cell_length_c 12.00309
_cell_angle_alpha 95.77275
_cell_angle_beta 95.77275
_cell_angle_gamma 113.67079
_cell_volume 401.39334
_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 0.47124 0.47124 0.62897 1.00000
Tl2 Tl 0.16612 0.83388 0.50000 1.00000
Tl3 Tl 0.83388 0.16612 0.50000 1.00000
Tl4 Tl 0.30466 0.69534 1.00000 1.00000
Tl5 Tl 0.69534 0.30466 0.00000 1.00000
Tl6 Tl 0.52876 0.52876 0.37103 1.00000
In1 In 0.17845 0.17845 0.81512 1.00000
In2 In 0.41026 0.98697 0.25403 1.00000
In3 In 0.98697 0.41026 0.25403 1.00000
In4 In 0.58974 0.01303 0.74597 1.00000
In5 In 0.01303 0.58974 0.74597 1.00000
In6 In 0.82155 0.82155 0.18488 1.00000
Ge1 Ge 0.17891 0.17891 0.07479 1.00000
Ge2 Ge 0.82109 0.82109 0.92521 1.00000
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