Na2Tl4Bi3
Alexandria ALEXAlex-ID: agm005667741 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
NaTl2Bi Tl2Bi NaBi
2023-06-27 10:53:12.925266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667741).
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 agm005667741
data_agm005667741
_cell_length_a 5.54658
_cell_length_b 5.54655
_cell_length_c 10.39329
_cell_angle_alpha 90.00700
_cell_angle_beta 90.00411
_cell_angle_gamma 59.99521
_cell_volume 276.89246
_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 0.33325 0.33348 0.76606 1.00000
Na2 Na 0.66675 0.66652 0.23394 1.00000
Tl1 Tl 0.66666 0.66668 0.89773 1.00000
Tl2 Tl 0.00003 0.99996 0.32752 1.00000
Tl3 Tl 0.99997 0.00004 0.67248 1.00000
Tl4 Tl 0.33334 0.33332 0.10227 1.00000
Bi1 Bi 0.33335 0.33332 0.42844 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.66665 0.66668 0.57156 1.00000
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