Rb3Sb7S12
Alexandria ALEXAlex-ID: agm008198510 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7C12_10_spg8
Rb2Sb8S13 Rb2Sb4S7
2024-04-24 05:49:42.722243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008198510).
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 agm008198510
data_agm008198510
_cell_length_a 13.02639
_cell_length_b 13.02639
_cell_length_c 12.63854
_cell_angle_alpha 73.18592
_cell_angle_beta 73.18592
_cell_angle_gamma 17.63779
_cell_volume 621.34387
_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 0.64128 0.64128 0.10946 1.00000
Rb2 Rb 0.36580 0.36580 0.87193 1.00000
Rb3 Rb 0.02427 0.02427 0.43201 1.00000
Sb1 Sb 0.32212 0.32212 0.51820 1.00000
Sb2 Sb 0.72611 0.72611 0.77258 1.00000
Sb3 Sb 0.08377 0.08377 0.74261 1.00000
Sb4 Sb 0.27498 0.27498 0.22077 1.00000
Sb5 Sb 0.91369 0.91369 0.25915 1.00000
Sb6 Sb 0.67602 0.67602 0.47962 1.00000
Sb7 Sb 0.50046 0.50046 0.00552 1.00000
S1 S 0.57492 0.57492 0.58482 1.00000
S2 S 0.80145 0.80145 0.38084 1.00000
S3 S 0.23236 0.23236 0.89959 1.00000
S4 S 0.77133 0.77133 0.09203 1.00000
S5 S 0.83067 0.83067 0.66804 1.00000
S6 S 0.16769 0.16769 0.32578 1.00000
S7 S 0.60601 0.60601 0.86804 1.00000
S8 S 0.97967 0.97967 0.87174 1.00000
S9 S 0.39391 0.39391 0.12869 1.00000
S10 S 0.02062 0.02062 0.14740 1.00000
S11 S 0.42316 0.42316 0.41453 1.00000
S12 S 0.19634 0.19634 0.61567 1.00000
