NiPt2F8
Alexandria ALEXAlex-ID: agm005995550 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1485_spg12
NiPtF6 PtF4 Pt
2023-10-16 17:35:52.973818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995550).
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 agm005995550
data_agm005995550
_cell_length_a 4.71855
_cell_length_b 6.71779
_cell_length_c 5.69190
_cell_angle_alpha 126.17650
_cell_angle_beta 87.16346
_cell_angle_gamma 90.01128
_cell_volume 145.36529
_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
Ni1 Ni 0.00000 0.00000 0.99999 1.00000
Pt1 Pt 0.24478 0.37978 0.75958 1.00000
Pt2 Pt 0.75522 0.62022 0.24040 1.00000
F1 F 0.25944 0.60024 0.20022 1.00000
F2 F 0.74056 0.39976 0.79976 1.00000
F3 F 0.75973 0.91282 0.23388 1.00000
F4 F 0.25740 0.16509 0.33062 1.00000
F5 F 0.23989 0.67868 0.76573 1.00000
F6 F 0.24027 0.08719 0.76610 1.00000
F7 F 0.74260 0.83490 0.66936 1.00000
F8 F 0.76011 0.32132 0.23427 1.00000
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