Th6Mn2Tl
Alexandria ALEXAlex-ID: agm005704533 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Th3MnTl Th Mn
2023-07-08 20:31:38.763031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704533).
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 agm005704533
data_agm005704533
_cell_length_a 8.64771
_cell_length_b 8.66231
_cell_length_c 8.64654
_cell_angle_alpha 101.83289
_cell_angle_beta 112.80889
_cell_angle_gamma 113.96929
_cell_volume 492.44666
_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 0.48560 0.29643 0.19056 1.00000
Th2 Th 0.51439 0.70357 0.80943 1.00000
Th3 Th 0.89460 0.70370 0.18941 1.00000
Th4 Th 0.10539 0.29630 0.81058 1.00000
Th5 Th 0.20762 0.75816 0.96195 1.00000
Th6 Th 0.79238 0.24184 0.03804 1.00000
Th7 Th 0.79678 0.75871 0.55047 1.00000
Th8 Th 0.20321 0.24129 0.44952 1.00000
Th9 Th 0.30962 0.97992 0.67078 1.00000
Th10 Th 0.69038 0.02008 0.32922 1.00000
Th11 Th 0.69029 0.36434 0.67347 1.00000
Th12 Th 0.30972 0.63566 0.32654 1.00000
Mn1 Mn 0.49983 0.38267 0.88277 1.00000
Mn2 Mn 0.50018 0.61733 0.11724 1.00000
Mn3 Mn 0.35492 0.99982 0.35498 1.00000
Mn4 Mn 0.64510 0.00018 0.64504 1.00000
Tl1 Tl 1.00000 0.50000 0.50000 1.00000
Tl2 Tl 0.99999 1.00000 0.99998 1.00000
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