Rb2Sb8Te13
Alexandria ALEXAlex-ID: agm007984342 · Space group: P2_1/m (#11)
Basic Information
Formula
Rb2Sb8Te13
Alex-ID
agm007984342
Elements
3
Sites
46
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
1,659.63
ų
Cell a
14.5303
Å
Cell b
4.3813
Å
Cell c
26.2510
Å
α angle
90.00
°
β angle
96.75
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Rb2Sb8Te13
Rb
4.00 · 8.7%
Sb
16.00 · 34.8%
Te
26.00 · 56.5%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.2695
eV/atom
Corrected total energy
-163.9070
eV
Raw total energy
-163.9070
eV
Electronic Structure
Indirect band gap
0.2456
eV
Direct band gap
0.2456
eV
DOS at Fermi level
0.2613
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A2B8C13_8_spg11
Decomposition
Rb2Sb8Te13
Computed at
2025-02-28 16:42:00
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007984342).
Reference
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
BibTeX
@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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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007984342
data_agm007984342
_cell_length_a 14.53029
_cell_length_b 4.38135
_cell_length_c 26.25096
_cell_angle_alpha 90.00000
_cell_angle_beta 96.74579
_cell_angle_gamma 90.00000
_cell_volume 1659.62626
_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 0.92391 0.25000 0.88256 1.00000
Rb2 Rb 0.07609 0.75000 0.11744 1.00000
Rb3 Rb 0.77319 0.75000 0.64137 1.00000
Rb4 Rb 0.22681 0.25000 0.35863 1.00000
Sb1 Sb 0.07082 0.75000 0.56449 1.00000
Sb2 Sb 0.92918 0.25000 0.43551 1.00000
Sb3 Sb 0.31139 0.75000 0.82956 1.00000
Sb4 Sb 0.68861 0.25000 0.17044 1.00000
Sb5 Sb 0.54396 0.25000 0.93020 1.00000
Sb6 Sb 0.45604 0.75000 0.06980 1.00000
Sb7 Sb 0.38567 0.25000 0.69340 1.00000
Sb8 Sb 0.61433 0.75000 0.30660 1.00000
Sb9 Sb 0.07031 0.25000 0.73451 1.00000
Sb10 Sb 0.92969 0.75000 0.26549 1.00000
Sb11 Sb 0.22850 0.25000 0.96717 1.00000
Sb12 Sb 0.77150 0.75000 0.03283 1.00000
Sb13 Sb 0.62211 0.75000 0.79105 1.00000
Sb14 Sb 0.37789 0.25000 0.20895 1.00000
Sb15 Sb 0.45320 0.75000 0.56133 1.00000
Sb16 Sb 0.54680 0.25000 0.43867 1.00000
Te1 Te 0.88682 0.75000 0.51255 1.00000
Te2 Te 0.11318 0.25000 0.48745 1.00000
Te3 Te 0.98476 0.25000 0.62907 1.00000
Te4 Te 0.01524 0.75000 0.37093 1.00000
Te5 Te 0.94746 0.75000 0.76158 1.00000
Te6 Te 0.05254 0.25000 0.23842 1.00000
Te7 Te 0.23952 0.75000 0.71799 1.00000
Te8 Te 0.76048 0.25000 0.28201 1.00000
Te9 Te 0.17750 0.25000 0.85386 1.00000
Te10 Te 0.82250 0.75000 0.14614 1.00000
Te11 Te 0.09450 0.75000 0.97863 1.00000
Te12 Te 0.90550 0.25000 0.02137 1.00000
Te13 Te 0.39415 0.75000 0.95122 1.00000
Te14 Te 0.60585 0.25000 0.04878 1.00000
Te15 Te 0.68420 0.75000 0.91177 1.00000
Te16 Te 0.31580 0.25000 0.08823 1.00000
Te17 Te 0.74829 0.25000 0.76766 1.00000
Te18 Te 0.25171 0.75000 0.23234 1.00000
Te19 Te 0.46455 0.25000 0.81594 1.00000
Te20 Te 0.53545 0.75000 0.18406 1.00000
Te21 Te 0.39742 0.75000 0.45130 1.00000
Te22 Te 0.60258 0.25000 0.54870 1.00000
Te23 Te 0.68787 0.75000 0.41563 1.00000
Te24 Te 0.31213 0.25000 0.58437 1.00000
Te25 Te 0.47169 0.25000 0.31920 1.00000
Te26 Te 0.52831 0.75000 0.68080 1.00000
