AgPtCl4
Alexandria ALEXAlex-ID: agm005778902 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1194_spg82
PtCl2 Ag2PtCl6
2023-07-27 21:10:16.334659
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778902).
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 agm005778902
data_agm005778902
_cell_length_a 6.09832
_cell_length_b 6.09838
_cell_length_c 6.09818
_cell_angle_alpha 108.67215
_cell_angle_beta 108.67586
_cell_angle_gamma 111.07860
_cell_volume 174.47831
_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
Ag1 Ag 0.75000 0.25000 0.50000 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.22179 0.34072 0.56051 1.00000
Cl2 Cl 0.78017 0.66125 0.43949 1.00000
Cl3 Cl 0.33871 0.77818 0.11889 1.00000
Cl4 Cl 0.65933 0.21985 0.88111 1.00000
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