Na3MnTe3
Alexandria ALEXAlex-ID: agm005979110 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_97_spg64
Na6MnTe4 MnTe2
2023-08-06 09:02:00.364067
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005979110).
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 agm005979110
data_agm005979110
_cell_length_a 6.73154
_cell_length_b 10.45578
_cell_length_c 13.01033
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 108.77819
_cell_volume 866.97093
_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 0.68170 1.00000 0.85373 1.00000
Na2 Na 0.81830 0.00000 0.35373 1.00000
Na3 Na 0.18170 1.00000 0.64627 1.00000
Na4 Na 0.31830 0.00000 0.14627 1.00000
Na5 Na 0.00913 0.63917 0.37380 1.00000
Na6 Na 0.49087 0.36083 0.87380 1.00000
Na7 Na 0.86996 0.36083 0.12620 1.00000
Na8 Na 0.63004 0.63917 0.62620 1.00000
Na9 Na 0.99087 0.36083 0.62620 1.00000
Na10 Na 0.50913 0.63917 0.12620 1.00000
Na11 Na 0.13004 0.63917 0.87380 1.00000
Na12 Na 0.36996 0.36083 0.37380 1.00000
Mn1 Mn 0.41424 0.82847 0.50000 1.00000
Mn2 Mn 0.08576 0.17153 0.00000 1.00000
Mn3 Mn 0.58576 0.17153 0.50000 1.00000
Mn4 Mn 0.91424 0.82847 0.00000 1.00000
Te1 Te 0.21432 0.00000 0.88901 1.00000
Te2 Te 0.28568 1.00000 0.38901 1.00000
Te3 Te 0.71432 0.00000 0.61099 1.00000
Te4 Te 0.78568 1.00000 0.11099 1.00000
Te5 Te 0.55301 0.68362 0.37537 1.00000
Te6 Te 0.94699 0.31638 0.87537 1.00000
Te7 Te 0.36939 0.31638 0.12463 1.00000
Te8 Te 0.13061 0.68362 0.62463 1.00000
Te9 Te 0.44699 0.31638 0.62463 1.00000
Te10 Te 0.05301 0.68362 0.12463 1.00000
Te11 Te 0.63061 0.68362 0.87537 1.00000
Te12 Te 0.86939 0.31638 0.37537 1.00000
