Rb5As13S22
Alexandria ALEXAlex-ID: agm008733071 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B13C22_0_spg1
Rb3As7S12 As2S3
2024-12-04 16:25:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008733071).
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 agm008733071
data_agm008733071
_cell_length_a 7.97184
_cell_length_b 8.86131
_cell_length_c 17.66852
_cell_angle_alpha 103.27341
_cell_angle_beta 90.98699
_cell_angle_gamma 109.84333
_cell_volume 1136.45949
_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 0.75692 0.75964 0.61471 1.00000
Rb2 Rb 0.23894 0.24603 0.38309 1.00000
Rb3 Rb 0.24297 0.66266 0.19610 1.00000
Rb4 Rb 0.75318 0.35731 0.80555 1.00000
Rb5 Rb 0.83107 0.93923 0.97027 1.00000
As1 As 0.30471 0.81800 0.82632 1.00000
As2 As 0.68812 0.18642 0.18962 1.00000
As3 As 0.23591 0.79116 0.62166 1.00000
As4 As 0.76955 0.21564 0.38685 1.00000
As5 As 0.40307 0.81107 0.43376 1.00000
As6 As 0.57550 0.18699 0.56981 1.00000
As7 As 0.75761 0.81455 0.21237 1.00000
As8 As 0.23022 0.18131 0.79565 1.00000
As9 As 0.35033 0.07891 0.02464 1.00000
As10 As 0.78347 0.65228 0.38263 1.00000
As11 As 0.19416 0.34094 0.61842 1.00000
As12 As 0.29228 0.55719 0.95195 1.00000
As13 As 0.75667 0.43370 0.03872 1.00000
S1 S 0.87585 0.71597 0.10010 1.00000
S2 S 0.09892 0.27931 0.90141 1.00000
S3 S 0.48400 0.94752 0.69990 1.00000
S4 S 0.52719 0.06726 0.29764 1.00000
S5 S 0.48657 0.35510 0.09203 1.00000
S6 S 0.48593 0.59707 0.86600 1.00000
S7 S 0.95922 0.82778 0.30889 1.00000
S8 S 0.03370 0.16896 0.69370 1.00000
S9 S 0.11753 0.70181 0.91669 1.00000
S10 S 0.91395 0.31820 0.09511 1.00000
S11 S 0.12027 0.56419 0.68331 1.00000
S12 S 0.89135 0.44056 0.32622 1.00000
S13 S 0.50820 0.57716 0.32786 1.00000
S14 S 0.48272 0.40120 0.65988 1.00000
S15 S 0.68854 0.96496 0.47708 1.00000
S16 S 0.29519 0.02457 0.51588 1.00000
S17 S 0.48978 0.95328 0.09258 1.00000
S18 S 0.49559 0.07904 0.91429 1.00000
S19 S 0.65849 0.36382 0.48438 1.00000
S20 S 0.33121 0.63411 0.51816 1.00000
S21 S 0.06659 0.91193 0.79675 1.00000
S22 S 0.91464 0.07699 0.20111 1.00000
