Na8Mg4Tl
Alexandria ALEXAlex-ID: agm098082525 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1677_spg6
Na5Tl2 Na Mg
2025-06-16 23:42:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098082525).
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 agm098082525
data_agm098082525
_cell_length_a 5.66957
_cell_length_b 9.31143
_cell_length_c 8.61085
_cell_angle_alpha 63.19563
_cell_angle_beta 90.65362
_cell_angle_gamma 90.31245
_cell_volume 405.71152
_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 0.11965 0.13518 0.16623 1.00000
Na2 Na 0.60995 0.63759 0.21103 1.00000
Na3 Na 0.11905 0.68719 0.47274 1.00000
Na4 Na 0.11544 0.28401 0.74466 1.00000
Na5 Na 0.62078 0.94732 0.35430 1.00000
Na6 Na 0.61501 0.23762 0.52051 1.00000
Na7 Na 0.61854 0.37275 0.99044 1.00000
Na8 Na 0.61868 0.79308 0.77743 1.00000
Mg1 Mg 0.10769 0.86253 0.01644 1.00000
Mg2 Mg 0.11930 0.59736 0.89727 1.00000
Mg3 Mg 0.11045 0.41367 0.29498 1.00000
Mg4 Mg 0.11798 0.99634 0.60603 1.00000
Tl1 Tl 0.60746 0.03535 0.94793 1.00000
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