K2SmH9
Alexandria ALEXAlex-ID: agm102111183 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_783_spg8
KH7 SmH3 KH
2025-05-23 15:19:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102111183).
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 agm102111183
data_agm102111183
_cell_length_a 3.64202
_cell_length_b 7.16227
_cell_length_c 7.35446
_cell_angle_alpha 67.20652
_cell_angle_beta 75.72302
_cell_angle_gamma 90.02283
_cell_volume 170.40731
_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 0.23122 0.78940 0.62058 1.00000
K2 K 0.43156 0.35724 0.21757 1.00000
Sm1 Sm 0.65548 0.23161 0.77117 1.00000
H1 H 0.58770 0.97714 0.12352 1.00000
H2 H 0.25644 0.40777 0.56939 1.00000
H3 H 0.64412 0.52961 0.79450 1.00000
H4 H 0.05263 0.24794 0.97625 1.00000
H5 H 0.12104 0.00712 0.83987 1.00000
H6 H 0.37628 0.97529 0.12352 1.00000
H7 H 0.89920 0.63298 0.28747 1.00000
H8 H 0.79048 0.13634 0.50020 1.00000
H9 H 0.95384 0.70755 0.17597 1.00000
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