Th8Tl6C
Alexandria ALEXAlex-ID: agm072146876 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_227_spg148
ThTl Th5Tl3C
2024-10-05 15:17:17.141093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072146876).
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 agm072146876
data_agm072146876
_cell_length_a 6.31895
_cell_length_b 8.13069
_cell_length_c 9.34954
_cell_angle_alpha 69.96856
_cell_angle_beta 84.98337
_cell_angle_gamma 77.71685
_cell_volume 440.90907
_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
Th1 Th 0.76834 0.95073 0.24496 1.00000
Th2 Th 0.23166 0.04927 0.75504 1.00000
Th3 Th 0.16407 0.25125 0.03578 1.00000
Th4 Th 0.69722 0.24483 0.82697 1.00000
Th5 Th 0.91460 0.44689 0.36149 1.00000
Th6 Th 0.83593 0.74875 0.96422 1.00000
Th7 Th 0.30278 0.75517 0.17303 1.00000
Th8 Th 0.08540 0.55311 0.63851 1.00000
Tl1 Tl 0.78791 0.98833 0.60249 1.00000
Tl2 Tl 0.63355 0.37445 0.12828 1.00000
Tl3 Tl 0.56860 0.67147 0.55021 1.00000
Tl4 Tl 0.21209 0.01167 0.39751 1.00000
Tl5 Tl 0.36645 0.62555 0.87172 1.00000
Tl6 Tl 0.43140 0.32853 0.44979 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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