Rb7(CrS2)4
Alexandria ALEXAlex-ID: agm008596457 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C8_3_spg15
Rb4CrS4 RbCr3S5 Cr
2025-01-02 04:47:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008596457).
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 agm008596457
data_agm008596457
_cell_length_a 8.30172
_cell_length_b 10.12097
_cell_length_c 15.07399
_cell_angle_alpha 77.93721
_cell_angle_beta 74.06680
_cell_angle_gamma 65.85662
_cell_volume 1104.57841
_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 0.76839 0.25001 0.75007 1.00000
Rb2 Rb 0.23149 0.74997 0.24997 1.00000
Rb3 Rb 0.74794 0.02874 0.98707 1.00000
Rb4 Rb 0.76463 0.47091 0.51281 1.00000
Rb5 Rb 0.25227 0.97131 0.01295 1.00000
Rb6 Rb 0.23692 0.52872 0.48716 1.00000
Rb7 Rb 0.52389 0.85929 0.60770 1.00000
Rb8 Rb 0.98964 0.64058 0.89200 1.00000
Rb9 Rb 0.47583 0.14057 0.39240 1.00000
Rb10 Rb 0.01018 0.35950 0.10794 1.00000
Rb11 Rb 0.50499 0.62111 0.86118 1.00000
Rb12 Rb 0.98837 0.87925 0.63847 1.00000
Rb13 Rb 0.49487 0.37881 0.13890 1.00000
Rb14 Rb 0.01137 0.12092 0.36141 1.00000
Cr1 Cr 0.43198 0.22097 0.66563 1.00000
Cr2 Cr 0.31891 0.27879 0.83441 1.00000
Cr3 Cr 0.56793 0.77907 0.33436 1.00000
Cr4 Cr 0.68106 0.72114 0.16561 1.00000
Cr5 Cr 0.21237 0.11242 0.77747 1.00000
Cr6 Cr 0.10265 0.38720 0.72249 1.00000
Cr7 Cr 0.78756 0.88758 0.22250 1.00000
Cr8 Cr 0.89729 0.61283 0.27752 1.00000
S1 S 0.49823 0.05589 0.78981 1.00000
S2 S 0.34428 0.44390 0.71027 1.00000
S3 S 0.50170 0.94408 0.21015 1.00000
S4 S 0.65566 0.55610 0.28980 1.00000
S5 S 0.19206 0.21029 0.62981 1.00000
S6 S 0.03278 0.28926 0.87016 1.00000
S7 S 0.80781 0.78979 0.37018 1.00000
S8 S 0.96719 0.71069 0.12984 1.00000
S9 S 0.60593 0.67269 0.04686 1.00000
S10 S 0.32571 0.82770 0.45298 1.00000
S11 S 0.39406 0.32716 0.95317 1.00000
S12 S 0.67408 0.17262 0.54694 1.00000
S13 S 0.86385 0.58375 0.68229 1.00000
S14 S 0.12930 0.91610 0.81788 1.00000
S15 S 0.13620 0.41637 0.31779 1.00000
S16 S 0.87065 0.08391 0.18204 1.00000
