Th2Mg3Tl
Alexandria ALEXAlex-ID: agm003428151 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_862_spg69
ThMgTl Th Mg
2022-02-13 13:39:53.735374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428151).
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
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# CIF generated by HEAS from Alexandria entry agm003428151
data_agm003428151
_cell_length_a 6.23029
_cell_length_b 6.23029
_cell_length_c 10.38462
_cell_angle_alpha 114.68477
_cell_angle_beta 114.68477
_cell_angle_gamma 66.90906
_cell_volume 321.00364
_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 0.75000 0.25000 0.50000 1.00000
Th2 Th 0.75038 0.24962 0.00000 1.00000
Th3 Th 0.25000 0.75000 0.50000 1.00000
Th4 Th 0.24962 0.75038 0.00000 1.00000
Mg1 Mg 0.83257 0.83257 0.16602 1.00000
Mg2 Mg 0.66656 0.66656 0.83398 1.00000
Mg3 Mg 0.16743 0.16743 0.83398 1.00000
Mg4 Mg 0.33344 0.33344 0.16602 1.00000
Mg5 Mg 0.16599 0.16599 0.33198 1.00000
Mg6 Mg 0.83401 0.83401 0.66802 1.00000
Tl1 Tl 0.66646 0.66646 0.33291 1.00000
Tl2 Tl 0.33354 0.33354 0.66709 1.00000
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