KRbSiTe3
Alexandria ALEXAlex-ID: agm005029338 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_778_spg12
Rb2Te5 K3SiTe3 Rb4SiTe4 Rb2Si2Te5
2022-07-26 13:59:15.721660
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005029338).
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
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# CIF generated by HEAS from Alexandria entry agm005029338
data_agm005029338
_cell_length_a 7.66876
_cell_length_b 7.66876
_cell_length_c 10.00317
_cell_angle_alpha 69.54835
_cell_angle_beta 69.54835
_cell_angle_gamma 65.93467
_cell_volume 488.34997
_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 0.23914 0.76086 0.50000 1.00000
K2 K 0.76086 0.23914 0.50000 1.00000
Rb1 Rb 0.66714 0.66714 0.79274 1.00000
Rb2 Rb 0.33286 0.33286 0.20726 1.00000
Si1 Si 0.98806 0.98806 0.88747 1.00000
Si2 Si 0.01194 0.01194 0.11253 1.00000
Te1 Te 0.16996 0.16996 0.65202 1.00000
Te2 Te 0.14284 0.63113 0.87410 1.00000
Te3 Te 0.63113 0.14284 0.87410 1.00000
Te4 Te 0.36887 0.85716 0.12590 1.00000
Te5 Te 0.85716 0.36887 0.12590 1.00000
Te6 Te 0.83004 0.83004 0.34798 1.00000
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