Na8Tl6Ge
Alexandria ALEXAlex-ID: agm072147295 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Na2Tl NaTl NaGe
2024-10-06 19:52:44.679496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072147295).
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 agm072147295
data_agm072147295
_cell_length_a 7.85027
_cell_length_b 7.85027
_cell_length_c 7.85027
_cell_angle_alpha 87.62348
_cell_angle_beta 87.62348
_cell_angle_gamma 87.62348
_cell_volume 482.57100
_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 0.78793 0.78793 0.78793 1.00000
Na2 Na 0.21207 0.21207 0.21207 1.00000
Na3 Na 0.19019 0.67987 0.90480 1.00000
Na4 Na 0.67987 0.90480 0.19019 1.00000
Na5 Na 0.90480 0.19019 0.67987 1.00000
Na6 Na 0.80981 0.32013 0.09520 1.00000
Na7 Na 0.32013 0.09520 0.80981 1.00000
Na8 Na 0.09520 0.80981 0.32013 1.00000
Tl1 Tl 0.79507 0.53783 0.45435 1.00000
Tl2 Tl 0.53783 0.45435 0.79507 1.00000
Tl3 Tl 0.45435 0.79507 0.53783 1.00000
Tl4 Tl 0.20493 0.46217 0.54565 1.00000
Tl5 Tl 0.46217 0.54565 0.20493 1.00000
Tl6 Tl 0.54565 0.20493 0.46217 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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