K8Te2As
Alexandria ALEXAlex-ID: agm005947149 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_259_spg8
K3As K2Te K
2023-10-20 13:25:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005947149).
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 agm005947149
data_agm005947149
_cell_length_a 5.87181
_cell_length_b 8.07583
_cell_length_c 10.75344
_cell_angle_alpha 112.05509
_cell_angle_beta 105.84405
_cell_angle_gamma 90.00001
_cell_volume 451.64003
_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 0.63170 0.86535 0.26339 1.00000
K2 K 0.36830 0.60197 0.73660 1.00000
K3 K 0.19577 0.19576 0.39154 1.00000
K4 K 0.00000 0.24443 0.00001 1.00000
K5 K 0.80423 0.80424 0.60846 1.00000
K6 K 0.63170 0.39803 0.26340 1.00000
K7 K 0.36830 0.13465 0.73661 1.00000
K8 K 1.00000 0.75557 0.99999 1.00000
Te1 Te 0.19528 0.69528 0.39057 1.00000
Te2 Te 0.80472 0.30472 0.60943 1.00000
As1 As 0.50000 0.00000 0.00000 1.00000
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