K3Tl8Ga3
Alexandria ALEXAlex-ID: agm005689382 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
K6Tl17 K3Ga13 Tl
2023-06-29 10:02:16.435264
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689382).
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 agm005689382
data_agm005689382
_cell_length_a 5.46753
_cell_length_b 9.43135
_cell_length_c 9.43135
_cell_angle_alpha 72.94967
_cell_angle_beta 73.15046
_cell_angle_gamma 73.15046
_cell_volume 433.70477
_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
K1 K 0.50000 0.50000 0.50000 1.00000
K2 K 0.77534 0.22466 0.22466 1.00000
K3 K 0.22466 0.77534 0.77534 1.00000
Tl1 Tl 0.63457 0.06496 0.66590 1.00000
Tl2 Tl 0.36543 0.93504 0.33410 1.00000
Tl3 Tl 0.63457 0.66590 0.06496 1.00000
Tl4 Tl 0.36543 0.33410 0.93504 1.00000
Tl5 Tl 0.86848 0.78292 0.48011 1.00000
Tl6 Tl 0.13152 0.21708 0.51989 1.00000
Tl7 Tl 0.86848 0.48011 0.78292 1.00000
Tl8 Tl 0.13152 0.51989 0.21708 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 1.00000 0.87336 0.12664 1.00000
Ga3 Ga 0.00000 0.12664 0.87336 1.00000
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