K(PtCl4)2
Alexandria ALEXAlex-ID: agm005996086 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1484_spg12
PtCl3 K2PtCl6 PtCl4
2023-09-25 22:12:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996086).
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 agm005996086
data_agm005996086
_cell_length_a 5.35240
_cell_length_b 7.72610
_cell_length_c 10.77419
_cell_angle_alpha 133.93712
_cell_angle_beta 90.22244
_cell_angle_gamma 100.01521
_cell_volume 311.03835
_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 0.00000 0.00000 0.99999 1.00000
Pt1 Pt 0.29749 0.23240 0.61610 1.00000
Pt2 Pt 0.70251 0.76760 0.38388 1.00000
Cl1 Cl 0.20662 0.79440 0.39720 1.00000
Cl2 Cl 0.79338 0.20560 0.60276 1.00000
Cl3 Cl 0.70823 0.77276 0.17318 1.00000
Cl4 Cl 0.28928 0.23030 0.40177 1.00000
Cl5 Cl 0.40009 0.66168 0.83063 1.00000
Cl6 Cl 0.29177 0.22724 0.82681 1.00000
Cl7 Cl 0.71072 0.76969 0.59821 1.00000
Cl8 Cl 0.59991 0.33832 0.16937 1.00000
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