K2H7Os
Alexandria ALEXAlex-ID: agm007299674 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1965_spg2
K2H7Os
2025-03-10 07:46:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007299674).
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 agm007299674
data_agm007299674
_cell_length_a 6.67644
_cell_length_b 5.86140
_cell_length_c 8.52173
_cell_angle_alpha 109.32609
_cell_angle_beta 104.40843
_cell_angle_gamma 117.39537
_cell_volume 245.29902
_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 0.67140 0.75771 0.34078 1.00000
K2 K 0.71299 0.03007 0.83504 1.00000
K3 K 0.28701 0.96993 0.16496 1.00000
K4 K 0.32860 0.24229 0.65922 1.00000
H1 H 0.92446 0.54964 0.21325 1.00000
H2 H 0.65634 0.47859 0.53669 1.00000
H3 H 0.86160 0.63363 0.84792 1.00000
H4 H 0.02503 0.11230 0.29172 1.00000
H5 H 0.29313 0.79171 0.41955 1.00000
H6 H 0.97811 0.62572 0.48181 1.00000
H7 H 0.74506 0.13842 0.18042 1.00000
H8 H 0.25494 0.86158 0.81958 1.00000
H9 H 0.02189 0.37428 0.51819 1.00000
H10 H 0.70687 0.20829 0.58045 1.00000
H11 H 0.97497 0.88770 0.70828 1.00000
H12 H 0.13840 0.36637 0.15208 1.00000
H13 H 0.34366 0.52141 0.46331 1.00000
H14 H 0.07554 0.45036 0.78675 1.00000
Os1 Os 0.06060 0.42863 0.32531 1.00000
Os2 Os 0.93940 0.57137 0.67469 1.00000
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