Ac6Tl2In
Alexandria ALEXAlex-ID: agm005704609 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1783_spg71
Ac5In3 Ac5Tl3 Ac
2023-07-08 06:24:02.684625
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704609).
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 agm005704609
data_agm005704609
_cell_length_a 9.77314
_cell_length_b 9.77314
_cell_length_c 9.77314
_cell_angle_alpha 105.66927
_cell_angle_beta 111.51957
_cell_angle_gamma 111.29050
_cell_volume 716.23298
_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 0.55322 0.72973 0.82350 1.00000
Ac2 Ac 0.44678 0.27027 0.17650 1.00000
Ac3 Ac 0.09377 0.27027 0.82350 1.00000
Ac4 Ac 0.90623 0.72973 0.17650 1.00000
Ac5 Ac 0.80512 0.74796 0.55308 1.00000
Ac6 Ac 0.19488 0.25204 0.44692 1.00000
Ac7 Ac 0.19488 0.74796 0.94284 1.00000
Ac8 Ac 0.80512 0.25204 0.05716 1.00000
Ac9 Ac 0.71205 0.38191 0.66986 1.00000
Ac10 Ac 0.28795 0.61809 0.33014 1.00000
Ac11 Ac 0.28795 0.95782 0.66986 1.00000
Ac12 Ac 0.71205 0.04218 0.33014 1.00000
Tl1 Tl 0.50000 0.37166 0.87166 1.00000
Tl2 Tl 0.50000 0.62834 0.12834 1.00000
Tl3 Tl 0.65549 0.00000 0.65549 1.00000
Tl4 Tl 0.34451 1.00000 0.34451 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
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