Ac6TlSi2
Alexandria ALEXAlex-ID: agm005695907 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_160_spg71
Ac5TlSi2 Ac
2023-07-09 13:59:35.178482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695907).
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 agm005695907
data_agm005695907
_cell_length_a 9.42423
_cell_length_b 9.42423
_cell_length_c 9.42423
_cell_angle_alpha 107.27772
_cell_angle_beta 109.58242
_cell_angle_gamma 111.58210
_cell_volume 643.43163
_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
Ac1 Ac 0.54347 0.72404 0.81943 1.00000
Ac2 Ac 0.45653 0.27596 0.18057 1.00000
Ac3 Ac 0.09539 0.27596 0.81943 1.00000
Ac4 Ac 0.90461 0.72404 0.18057 1.00000
Ac5 Ac 0.79450 0.76038 0.55487 1.00000
Ac6 Ac 0.20550 0.23962 0.44513 1.00000
Ac7 Ac 0.20550 0.76038 0.96588 1.00000
Ac8 Ac 0.79450 0.23962 0.03412 1.00000
Ac9 Ac 0.70333 0.38203 0.67870 1.00000
Ac10 Ac 0.29667 0.61797 0.32130 1.00000
Ac11 Ac 0.29667 0.97537 0.67870 1.00000
Ac12 Ac 0.70333 0.02463 0.32130 1.00000
Tl1 Tl 0.00000 0.50000 0.50000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.50000 0.39182 0.89182 1.00000
Si2 Si 0.50000 0.60818 0.10818 1.00000
Si3 Si 0.62125 1.00000 0.62125 1.00000
Si4 Si 0.37875 0.00000 0.37875 1.00000
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