Rb2HfTe6
Alexandria ALEXAlex-ID: agm005787166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_732_spg65
Rb2HfTe3 Rb(HfTe2)4 Rb2Te5
2023-07-09 06:33:50.177485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005787166).
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 agm005787166
data_agm005787166
_cell_length_a 5.18992
_cell_length_b 9.18834
_cell_length_c 9.18834
_cell_angle_alpha 60.99776
_cell_angle_beta 92.12220
_cell_angle_gamma 92.12218
_cell_volume 382.86308
_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
Rb1 Rb 0.61679 0.68055 0.68054 1.00000
Rb2 Rb 0.38321 0.31945 0.31946 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.11723 0.34145 0.92363 1.00000
Te2 Te 0.88277 0.07637 0.65856 1.00000
Te3 Te 0.88277 0.65855 0.07637 1.00000
Te4 Te 0.50000 0.18280 0.81720 1.00000
Te5 Te 0.11723 0.92363 0.34144 1.00000
Te6 Te 0.50000 0.81720 0.18280 1.00000
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