Th4Tl5Fe2
Alexandria ALEXAlex-ID: agm005679891 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_19_spg10
Th2TlFe2 Th3Tl2Fe ThTl3
2023-06-21 14:09:41.794780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679891).
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 agm005679891
data_agm005679891
_cell_length_a 3.69438
_cell_length_b 8.20272
_cell_length_c 9.65977
_cell_angle_alpha 94.42213
_cell_angle_beta 89.99967
_cell_angle_gamma 90.00050
_cell_volume 291.85762
_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 0.50000 0.79792 0.56129 1.00000
Th2 Th 0.50000 0.18045 0.82680 1.00000
Th3 Th 0.50000 0.20208 0.43871 1.00000
Th4 Th 0.50000 0.81955 0.17320 1.00000
Tl1 Tl 1.00000 0.53620 0.33588 1.00000
Tl2 Tl 0.00000 0.15540 0.13620 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 1.00000 0.84460 0.86380 1.00000
Tl5 Tl 0.00000 0.46380 0.66412 1.00000
Fe1 Fe 1.00000 0.10408 0.62629 1.00000
Fe2 Fe 1.00000 0.89592 0.37371 1.00000
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