CdPtF5
Alexandria ALEXAlex-ID: agm005753320 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_397_spg15
CdPtF6 Pt CdF2
2023-07-14 02:47:14.220716
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753320).
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 agm005753320
data_agm005753320
_cell_length_a 5.53166
_cell_length_b 5.53166
_cell_length_c 8.51505
_cell_angle_alpha 68.89591
_cell_angle_beta 68.89592
_cell_angle_gamma 69.29482
_cell_volume 219.14094
_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
Cd1 Cd 0.53215 0.46785 0.75000 1.00000
Cd2 Cd 0.46785 0.53215 0.25000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
F1 F 0.31391 0.15301 0.85851 1.00000
F2 F 0.35688 0.74580 0.52085 1.00000
F3 F 0.15301 0.31391 0.35851 1.00000
F4 F 0.89859 0.10141 0.75000 1.00000
F5 F 0.25420 0.64312 0.97915 1.00000
F6 F 0.74580 0.35688 0.02085 1.00000
F7 F 0.10141 0.89859 0.25000 1.00000
F8 F 0.84699 0.68609 0.64149 1.00000
F9 F 0.64312 0.25420 0.47915 1.00000
F10 F 0.68609 0.84699 0.14149 1.00000
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