Rb3Zr(SbTe3)2
Alexandria ALEXAlex-ID: agm004644331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Rb3Sb7Te12 Rb3SbTe3 Rb(ZrTe2)4 Sb16Te3
2022-06-28 23:10:28.071664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004644331).
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 agm004644331
data_agm004644331
_cell_length_a 7.86795
_cell_length_b 7.86795
_cell_length_c 8.78367
_cell_angle_alpha 98.58470
_cell_angle_beta 98.58470
_cell_angle_gamma 120.03679
_cell_volume 449.23500
_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 0.17130 0.82870 0.50000 1.00000
Rb2 Rb 0.82870 0.17130 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.33395 0.66605 0.00000 1.00000
Sb2 Sb 0.66605 0.33395 0.00000 1.00000
Te1 Te 0.93673 0.61834 0.80978 1.00000
Te2 Te 0.74620 0.74620 0.19186 1.00000
Te3 Te 0.06327 0.38166 0.19022 1.00000
Te4 Te 0.61834 0.93673 0.80978 1.00000
Te5 Te 0.25380 0.25380 0.80814 1.00000
Te6 Te 0.38166 0.06327 0.19022 1.00000
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