Rb3Ta2SbS11
Alexandria ALEXAlex-ID: agm019884188 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D11_4_spg9
RbTaS3 Rb2Sb4S7 Rb3Ta2S11 Rb2Sb8S13
2024-12-04 15:56:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019884188).
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 agm019884188
data_agm019884188
_cell_length_a 10.05183
_cell_length_b 9.93943
_cell_length_c 10.05270
_cell_angle_alpha 83.86574
_cell_angle_beta 83.74410
_cell_angle_gamma 83.86346
_cell_volume 988.04150
_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 0.64606 0.34618 0.83470 1.00000
Rb2 Rb 0.83488 0.84604 0.64608 1.00000
Rb3 Rb 0.04077 0.60974 0.17333 1.00000
Rb4 Rb 0.17329 0.10987 0.04083 1.00000
Rb5 Rb 0.41658 0.46303 0.28480 1.00000
Rb6 Rb 0.28484 0.96304 0.41646 1.00000
Ta1 Ta 0.54131 0.82952 0.08000 1.00000
Ta2 Ta 0.79048 0.00953 0.20018 1.00000
Ta3 Ta 0.08004 0.32946 0.54134 1.00000
Ta4 Ta 0.20014 0.50956 0.79047 1.00000
Sb1 Sb 0.41287 0.78151 0.73267 1.00000
Sb2 Sb 0.73273 0.28131 0.41306 1.00000
S1 S 0.57316 0.68090 0.89095 1.00000
S2 S 0.86216 0.05876 0.95909 1.00000
S3 S 0.62137 0.07267 0.39656 1.00000
S4 S 0.10732 0.57618 0.52885 1.00000
S5 S 0.18403 0.75605 0.83005 1.00000
S6 S 0.51443 0.02650 0.91118 1.00000
S7 S 0.39645 0.57282 0.62132 1.00000
S8 S 0.83006 0.25600 0.18419 1.00000
S9 S 0.33156 0.78279 0.15857 1.00000
S10 S 0.97225 0.92428 0.30315 1.00000
S11 S 0.30325 0.42439 0.97218 1.00000
S12 S 0.91109 0.52631 0.51452 1.00000
S13 S 0.29909 0.30485 0.64696 1.00000
S14 S 0.52879 0.07620 0.10745 1.00000
S15 S 0.81414 0.86147 0.01492 1.00000
S16 S 0.01499 0.36136 0.81418 1.00000
S17 S 0.15870 0.28279 0.33160 1.00000
S18 S 0.18433 0.13899 0.68753 1.00000
S19 S 0.68753 0.63898 0.18415 1.00000
S20 S 0.95902 0.55862 0.86222 1.00000
S21 S 0.64697 0.80474 0.29904 1.00000
S22 S 0.89113 0.18065 0.57321 1.00000
