K3SmI5
Alexandria ALEXAlex-ID: agm072670495 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_352_spg5
SmI2 KI
2024-09-25 21:05:25.596373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072670495).
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 agm072670495
data_agm072670495
_cell_length_a 6.12222
_cell_length_b 9.01720
_cell_length_c 9.01788
_cell_angle_alpha 95.47319
_cell_angle_beta 108.78623
_cell_angle_gamma 108.83962
_cell_volume 434.88060
_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 0.17712 0.66726 0.77478 1.00000
K2 K 0.80163 0.09260 0.65194 1.00000
K3 K 0.80197 0.54414 0.20162 1.00000
Sm1 Sm 0.14940 0.14954 0.25688 1.00000
I1 I 0.64066 0.14035 0.24821 1.00000
I2 I 0.14334 0.90897 0.49780 1.00000
I3 I 0.14235 0.38956 0.01546 1.00000
I4 I 0.84938 0.84769 0.95587 1.00000
I5 I 0.46086 0.44651 0.55123 1.00000
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