Th6Tl8Fe
Alexandria ALEXAlex-ID: agm072824904 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_340_spg148
Th3Tl2Fe ThTl3 ThTl
2024-10-06 04:01:47.380767
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072824904).
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 agm072824904
data_agm072824904
_cell_length_a 7.02292
_cell_length_b 8.63810
_cell_length_c 8.93396
_cell_angle_alpha 116.86924
_cell_angle_beta 112.56776
_cell_angle_gamma 87.87456
_cell_volume 440.28418
_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 0.45816 0.18700 0.90670 1.00000
Th2 Th 0.44601 0.44683 0.37421 1.00000
Th3 Th 0.75957 0.08354 0.40418 1.00000
Th4 Th 0.95424 0.18391 0.94137 1.00000
Th5 Th 0.08544 0.70833 0.21388 1.00000
Th6 Th 0.13264 0.50986 0.77680 1.00000
Tl1 Tl 0.29652 0.94089 0.06542 1.00000
Tl2 Tl 0.24623 0.15035 0.45580 1.00000
Tl3 Tl 0.55672 0.87780 0.56715 1.00000
Tl4 Tl 0.72432 0.83378 0.93188 1.00000
Tl5 Tl 0.59953 0.65286 0.16732 1.00000
Tl6 Tl 0.90916 0.40096 0.32912 1.00000
Tl7 Tl 0.66391 0.41904 0.76321 1.00000
Tl8 Tl 0.04588 0.81936 0.60857 1.00000
Fe1 Fe 0.26172 0.42988 0.05255 1.00000
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