LiH2PtF8
Alexandria ALEXAlex-ID: agm004909083 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_683_spg2
LiPtF6 HF
2023-01-01 22:27:30.047033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909083).
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 agm004909083
data_agm004909083
_cell_length_a 4.96165
_cell_length_b 4.72502
_cell_length_c 6.30955
_cell_angle_alpha 90.56670
_cell_angle_beta 100.07608
_cell_angle_gamma 87.58791
_cell_volume 145.50942
_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
Li1 Li 0.00000 0.00000 0.50000 1.00000
H1 H 0.49073 0.23998 0.65044 1.00000
H2 H 0.50927 0.76002 0.34956 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
F1 F 0.19233 0.78104 0.24893 1.00000
F2 F 0.69721 0.75985 0.97467 1.00000
F3 F 0.85534 0.21891 0.21735 1.00000
F4 F 0.80767 0.21896 0.75107 1.00000
F5 F 0.30279 0.24015 0.02533 1.00000
F6 F 0.14466 0.78109 0.78265 1.00000
F7 F 0.68544 0.74779 0.44375 1.00000
F8 F 0.31456 0.25221 0.55625 1.00000
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