K2H6RuPb2
Alexandria ALEXAlex-ID: agm006554275 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_146_spg148
H6Pb K3H7Ru Pb Ru
2024-02-28 13:09:25.764941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006554275).
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 agm006554275
data_agm006554275
_cell_length_a 5.72651
_cell_length_b 5.73037
_cell_length_c 7.37516
_cell_angle_alpha 112.75230
_cell_angle_beta 90.20231
_cell_angle_gamma 119.81438
_cell_volume 187.75465
_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 0.11383 0.72964 0.34312 1.00000
K2 K 0.88617 0.27036 0.65688 1.00000
H1 H 0.83929 0.73527 0.63339 1.00000
H2 H 0.39829 0.29403 0.63329 1.00000
H3 H 0.16071 0.26473 0.36661 1.00000
H4 H 0.39700 0.73607 0.63380 1.00000
H5 H 0.60171 0.70597 0.36671 1.00000
H6 H 0.60300 0.26393 0.36620 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Pb1 Pb 0.35764 0.21710 0.07434 1.00000
Pb2 Pb 0.64236 0.78290 0.92566 1.00000
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