Na2Mg4Tl3
Alexandria ALEXAlex-ID: agm005643152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1067_spg12
Na2Tl NaMgTl2 Mg
2023-06-30 20:52:53.273611
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643152).
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 agm005643152
data_agm005643152
_cell_length_a 4.75349
_cell_length_b 5.70169
_cell_length_c 9.73138
_cell_angle_alpha 75.00354
_cell_angle_beta 90.01408
_cell_angle_gamma 114.62916
_cell_volume 229.84337
_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
Na1 Na 0.32728 0.65544 0.23075 1.00000
Na2 Na 0.67272 0.34456 0.76925 1.00000
Mg1 Mg 0.66082 0.32170 0.10568 1.00000
Mg2 Mg 0.01158 0.02234 0.65892 1.00000
Mg3 Mg 0.98842 0.97766 0.34108 1.00000
Mg4 Mg 0.33918 0.67830 0.89432 1.00000
Tl1 Tl 0.34006 0.67931 0.57621 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.65994 0.32069 0.42379 1.00000
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