Na4TeF2
Alexandria ALEXAlex-ID: agm096604815 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_31_spg87
Na2Te NaF
2025-04-10 17:40:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096604815).
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 agm096604815
data_agm096604815
_cell_length_a 4.60763
_cell_length_b 6.52731
_cell_length_c 6.12214
_cell_angle_alpha 80.88807
_cell_angle_beta 109.59594
_cell_angle_gamma 91.90543
_cell_volume 171.23344
_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 0.69203 0.22367 0.75379 1.00000
Na2 Na 0.92027 0.21087 0.29250 1.00000
Na3 Na 0.73346 0.74632 0.78811 1.00000
Na4 Na 0.38569 0.89322 0.15855 1.00000
Te1 Te 0.29073 0.45147 0.95222 1.00000
F1 F 0.84695 0.95917 0.06095 1.00000
F2 F 0.63088 0.01529 0.49387 1.00000
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