Na4Tl8F
Alexandria ALEXAlex-ID: agm098011325 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1624_spg1
NaTl2 Tl NaF
2025-06-15 11:14:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098011325).
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 agm098011325
data_agm098011325
_cell_length_a 11.02097
_cell_length_b 11.02097
_cell_length_c 3.59576
_cell_angle_alpha 89.68637
_cell_angle_beta 90.31363
_cell_angle_gamma 121.13577
_cell_volume 373.82340
_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 0.02207 0.97793 0.01240 1.00000
Na2 Na 0.01775 0.50563 0.04493 1.00000
Na3 Na 0.49148 0.50852 0.02955 1.00000
Na4 Na 0.49437 0.98225 0.04493 1.00000
Tl1 Tl 0.17354 0.82646 0.49263 1.00000
Tl2 Tl 0.16357 0.32287 0.45628 1.00000
Tl3 Tl 0.66333 0.33667 0.10655 1.00000
Tl4 Tl 0.67713 0.83643 0.45628 1.00000
Tl5 Tl 0.36506 0.17920 0.57306 1.00000
Tl6 Tl 0.33493 0.66507 0.61243 1.00000
Tl7 Tl 0.82080 0.63494 0.57306 1.00000
Tl8 Tl 0.81452 0.18548 0.58205 1.00000
F1 F 0.96092 0.03908 0.51088 1.00000
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