NaLa5Te6
Alexandria ALEXAlex-ID: agm003676920 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
NaLa3Te4 LaTe
2022-04-09 23:59:56.924189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676920).
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 agm003676920
data_agm003676920
_cell_length_a 7.93991
_cell_length_b 7.93324
_cell_length_c 7.93391
_cell_angle_alpha 60.00278
_cell_angle_beta 80.38809
_cell_angle_gamma 70.48976
_cell_volume 407.95778
_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 0.00000 0.00000 0.00000 1.00000
La1 La 0.50000 0.16606 0.66788 1.00000
La2 La 1.00000 0.33431 0.33138 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
La4 La 0.00000 0.66569 0.66862 1.00000
La5 La 0.50000 0.83394 0.33212 1.00000
Te1 Te 0.75213 0.08226 0.32961 1.00000
Te2 Te 0.24787 0.58813 0.32961 1.00000
Te3 Te 0.24628 0.24626 1.00000 1.00000
Te4 Te 0.75372 0.75374 0.00000 1.00000
Te5 Te 0.75213 0.41187 0.67039 1.00000
Te6 Te 0.24787 0.91774 0.67039 1.00000
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