Th3(TlFe)4
Alexandria ALEXAlex-ID: agm008975271 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_30_spg2
Th2TlFe2 ThTl3 ThFe5
2024-06-24 11:55:27.065899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008975271).
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 agm008975271
data_agm008975271
_cell_length_a 8.60583
_cell_length_b 8.60583
_cell_length_c 8.60583
_cell_angle_alpha 147.44259
_cell_angle_beta 132.94980
_cell_angle_gamma 58.38493
_cell_volume 249.01243
_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 0.85970 0.85970 0.00000 1.00000
Th2 Th 0.14030 0.14030 0.00000 1.00000
Th3 Th 0.50000 0.00000 0.50000 1.00000
Tl1 Tl 0.28567 0.78567 0.50000 1.00000
Tl2 Tl 0.71433 0.21433 0.50000 1.00000
Tl3 Tl 0.20823 0.50000 0.70823 1.00000
Tl4 Tl 0.79177 0.50000 0.29177 1.00000
Fe1 Fe 0.84295 0.67159 0.17136 1.00000
Fe2 Fe 0.49976 0.32841 0.17136 1.00000
Fe3 Fe 0.15705 0.32841 0.82864 1.00000
Fe4 Fe 0.50024 0.67159 0.82864 1.00000
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