Rb3(HgTe2)2
Alexandria ALEXAlex-ID: agm005657088 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_666_spg12
Rb2Te5 Rb2Hg3Te4 Rb2HgTe2
2023-06-30 21:29:57.728441
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657088).
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 agm005657088
data_agm005657088
_cell_length_a 5.00163
_cell_length_b 8.26784
_cell_length_c 9.83971
_cell_angle_alpha 110.62670
_cell_angle_beta 104.72691
_cell_angle_gamma 89.99686
_cell_volume 366.49896
_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 0.13716 0.56679 0.27424 1.00000
Rb2 Rb 0.86284 0.43321 0.72576 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66463 0.96699 0.32960 1.00000
Hg2 Hg 0.33537 0.03301 0.67040 1.00000
Te1 Te 0.51737 0.69669 0.03488 1.00000
Te2 Te 0.20859 0.17674 0.41751 1.00000
Te3 Te 0.48263 0.30331 0.96512 1.00000
Te4 Te 0.79141 0.82326 0.58249 1.00000
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