K2RhS15
Alexandria ALEXAlex-ID: agm018963299 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C15_11_spg9
KS5 Rh3S8 KS12
2024-09-13 13:06:39.771286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018963299).
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 agm018963299
data_agm018963299
_cell_length_a 9.29725
_cell_length_b 9.29725
_cell_length_c 13.86243
_cell_angle_alpha 74.58919
_cell_angle_beta 74.58919
_cell_angle_gamma 86.59538
_cell_volume 1113.55574
_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
K1 K 0.74824 0.84132 0.15277 1.00000
K2 K 0.84132 0.74824 0.65277 1.00000
K3 K 0.07624 0.23443 0.35484 1.00000
K4 K 0.23443 0.07624 0.85484 1.00000
Rh1 Rh 0.16669 0.82575 0.26302 1.00000
Rh2 Rh 0.82575 0.16669 0.76302 1.00000
S1 S 0.38726 0.50399 0.21674 1.00000
S2 S 0.50399 0.38726 0.71674 1.00000
S3 S 0.36527 0.53469 0.06618 1.00000
S4 S 0.53469 0.36527 0.56618 1.00000
S5 S 0.43064 0.12254 0.34969 1.00000
S6 S 0.12254 0.43064 0.84969 1.00000
S7 S 0.37348 0.90213 0.43345 1.00000
S8 S 0.90213 0.37348 0.93345 1.00000
S9 S 0.16381 0.86593 0.42569 1.00000
S10 S 0.86593 0.16381 0.92569 1.00000
S11 S 0.39673 0.70770 0.24306 1.00000
S12 S 0.70770 0.39673 0.74306 1.00000
S13 S 0.15061 0.61245 0.07362 1.00000
S14 S 0.61245 0.15061 0.57362 1.00000
S15 S 0.14272 0.82261 0.09156 1.00000
S16 S 0.82261 0.14272 0.59156 1.00000
S17 S 0.27279 0.07541 0.17266 1.00000
S18 S 0.07541 0.27279 0.67266 1.00000
S19 S 0.47251 0.10560 0.19740 1.00000
S20 S 0.10560 0.47251 0.69740 1.00000
S21 S 0.02773 0.59848 0.32226 1.00000
S22 S 0.59848 0.02773 0.82226 1.00000
S23 S 0.78506 0.90578 0.41692 1.00000
S24 S 0.90578 0.78506 0.91692 1.00000
S25 S 0.88710 0.56606 0.46513 1.00000
S26 S 0.56606 0.88710 0.96513 1.00000
S27 S 0.93225 0.97027 0.27404 1.00000
S28 S 0.97027 0.93225 0.77404 1.00000
S29 S 0.69940 0.69425 0.43993 1.00000
S30 S 0.69425 0.69940 0.93993 1.00000
