Na2(ScTe2)3
Alexandria ALEXAlex-ID: agm005603867 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
NaScTe2 Sc2Te3 Te
2023-06-12 16:32:58.967852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603867).
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 agm005603867
data_agm005603867
_cell_length_a 7.10000
_cell_length_b 7.09718
_cell_length_c 8.20531
_cell_angle_alpha 81.69275
_cell_angle_beta 73.21098
_cell_angle_gamma 59.98687
_cell_volume 342.76371
_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 0.16633 0.66733 0.50000 1.00000
Na2 Na 0.83367 0.33267 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.33208 0.33584 1.00000 1.00000
Sc3 Sc 0.66792 0.66416 0.00000 1.00000
Te1 Te 0.40720 0.66944 0.77879 1.00000
Te2 Te 0.73734 0.00000 0.78039 1.00000
Te3 Te 0.07664 0.33056 0.77879 1.00000
Te4 Te 0.26266 1.00000 0.21961 1.00000
Te5 Te 0.59280 0.33056 0.22121 1.00000
Te6 Te 0.92336 0.66944 0.22121 1.00000
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