K2H7Pt2
Alexandria ALEXAlex-ID: agm006339084 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_248_spg12
H3Pt K2H6Pt Pt
2024-02-24 17:14:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006339084).
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 agm006339084
data_agm006339084
_cell_length_a 6.39847
_cell_length_b 6.39847
_cell_length_c 3.46331
_cell_angle_alpha 89.99990
_cell_angle_beta 89.99990
_cell_angle_gamma 117.66255
_cell_volume 125.58256
_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 0.77065 0.22935 0.00000 1.00000
K2 K 0.22935 0.77065 0.00000 1.00000
H1 H 0.12347 0.42541 0.49993 1.00000
H2 H 0.57459 0.87653 0.50007 1.00000
H3 H 0.87653 0.57459 0.50007 1.00000
H4 H 0.42541 0.12347 0.49993 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
H6 H 0.30116 0.30116 0.00000 1.00000
H7 H 0.69884 0.69884 1.00000 1.00000
Pt1 Pt 0.72724 0.72724 0.50001 1.00000
Pt2 Pt 0.27276 0.27276 0.49999 1.00000
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