Na7Tl4Au
Alexandria ALEXAlex-ID: agm006089378 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_103_spg12
Na2Tl Na2Au NaTl
2023-08-14 07:41:38.678398
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089378).
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 agm006089378
data_agm006089378
_cell_length_a 5.54386
_cell_length_b 6.53065
_cell_length_c 11.83431
_cell_angle_alpha 70.65827
_cell_angle_beta 76.45394
_cell_angle_gamma 64.88418
_cell_volume 363.84906
_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 0.78955 0.51241 0.90849 1.00000
Na2 Na 0.21045 0.48759 0.09151 1.00000
Na3 Na 0.11744 0.02213 0.74300 1.00000
Na4 Na 0.88256 0.97787 0.25700 1.00000
Na5 Na 0.36456 0.80850 0.46238 1.00000
Na6 Na 0.50000 0.00000 0.00000 1.00000
Na7 Na 0.63544 0.19150 0.53762 1.00000
Tl1 Tl 0.60563 0.54612 0.24263 1.00000
Tl2 Tl 0.39437 0.45388 0.75737 1.00000
Tl3 Tl 0.88991 0.60298 0.61720 1.00000
Tl4 Tl 0.11009 0.39702 0.38280 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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