Rb2ThSnTe5
Alexandria ALEXAlex-ID: agm005155459 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
Rb2Te5 ThTe3 Rb2ThTe3 SnTe
2023-01-19 13:54:28.321995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155459).
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 agm005155459
data_agm005155459
_cell_length_a 4.58678
_cell_length_b 11.27104
_cell_length_c 15.57176
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.74034
_cell_volume 788.18486
_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 0.87856 0.75712 0.83235 1.00000
Rb2 Rb 0.12853 0.25707 0.68502 1.00000
Rb3 Rb 0.12144 0.24288 0.33235 1.00000
Rb4 Rb 0.87147 0.74293 0.18502 1.00000
Th1 Th 0.79245 0.58491 0.53337 1.00000
Th2 Th 0.20755 0.41509 0.03337 1.00000
Sn1 Sn 0.56446 0.12891 0.91731 1.00000
Sn2 Sn 0.43554 0.87109 0.41731 1.00000
Te1 Te 0.33929 0.67857 0.00685 1.00000
Te2 Te 0.69096 0.38192 0.88577 1.00000
Te3 Te 0.50359 0.00719 0.76759 1.00000
Te4 Te 0.30979 0.61958 0.66368 1.00000
Te5 Te 0.94735 0.89470 0.53203 1.00000
Te6 Te 0.66071 0.32143 0.50685 1.00000
Te7 Te 0.30904 0.61808 0.38577 1.00000
Te8 Te 0.49641 0.99281 0.26759 1.00000
Te9 Te 0.69021 0.38042 0.16368 1.00000
Te10 Te 0.05265 0.10530 0.03203 1.00000
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