RbAcS14
Alexandria ALEXAlex-ID: agm005756145 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_108_spg74
RbS11 AcS2 RbS13
2023-07-21 05:27:56.063183
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756145).
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 agm005756145
data_agm005756145
_cell_length_a 11.09944
_cell_length_b 14.40316
_cell_length_c 14.40317
_cell_angle_alpha 35.64836
_cell_angle_beta 67.33698
_cell_angle_gamma 67.33698
_cell_volume 1227.14182
_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 0.25000 0.46172 0.03828 1.00000
Rb2 Rb 0.75000 0.53828 0.96172 1.00000
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
S1 S 0.57163 0.40131 0.45542 1.00000
S2 S 0.42836 0.59869 0.54458 1.00000
S3 S 0.07164 0.95542 0.90131 1.00000
S4 S 0.92836 0.04458 0.09869 1.00000
S5 S 0.19283 0.99477 0.61958 1.00000
S6 S 0.80717 0.00523 0.38042 1.00000
S7 S 0.69283 0.11958 0.49477 1.00000
S8 S 0.30717 0.88042 0.50523 1.00000
S9 S 0.10921 0.10900 0.67259 1.00000
S10 S 0.89079 0.89100 0.32741 1.00000
S11 S 0.60921 0.17259 0.60900 1.00000
S12 S 0.39079 0.82741 0.39100 1.00000
S13 S 0.85789 0.48997 0.19767 1.00000
S14 S 0.54553 0.51003 0.80233 1.00000
S15 S 0.35789 0.69767 0.98997 1.00000
S16 S 0.04553 0.30233 0.01003 1.00000
S17 S 0.14211 0.51003 0.80233 1.00000
S18 S 0.45447 0.48997 0.19767 1.00000
S19 S 0.64211 0.30233 0.01003 1.00000
S20 S 0.95447 0.69767 0.98997 1.00000
S21 S 0.49714 0.84524 0.81998 1.00000
S22 S 0.16236 0.15476 0.18002 1.00000
S23 S 0.99714 0.31998 0.34524 1.00000
S24 S 0.66236 0.68002 0.65476 1.00000
S25 S 0.50286 0.15476 0.18002 1.00000
S26 S 0.83764 0.84524 0.81998 1.00000
S27 S 0.00286 0.68002 0.65476 1.00000
S28 S 0.33764 0.31998 0.34524 1.00000
