K2Na(ScTe2)3
Alexandria ALEXAlex-ID: agm038831753 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
NaScTe2 KScTe2
2025-01-22 20:23:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038831753).
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 agm038831753
data_agm038831753
_cell_length_a 7.42419
_cell_length_b 7.42419
_cell_length_c 8.37503
_cell_angle_alpha 81.52145
_cell_angle_beta 98.47855
_cell_angle_gamma 60.01816
_cell_volume 382.07874
_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
K1 K 0.33351 0.33351 0.00000 1.00000
K2 K 0.66649 0.66649 0.00000 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.16771 0.16771 0.50000 1.00000
Sc2 Sc 0.83229 0.83229 0.50000 1.00000
Sc3 Sc 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.42617 0.90118 0.29615 1.00000
Te2 Te 0.22833 0.77167 0.70452 1.00000
Te3 Te 0.57383 0.09882 0.70385 1.00000
Te4 Te 0.09882 0.57383 0.29615 1.00000
Te5 Te 0.77167 0.22833 0.29548 1.00000
Te6 Te 0.90118 0.42617 0.70385 1.00000
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