Ba2PtF8
Alexandria ALEXAlex-ID: agm048280847 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_172_spg2
BaPtF6 BaF2
2024-12-26 15:50:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048280847).
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 agm048280847
data_agm048280847
_cell_length_a 6.75777
_cell_length_b 6.75777
_cell_length_c 5.00306
_cell_angle_alpha 74.68986
_cell_angle_beta 105.31014
_cell_angle_gamma 106.06030
_cell_volume 207.22268
_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
Ba1 Ba 0.33630 0.66370 0.14439 1.00000
Ba2 Ba 0.66370 0.33630 0.85561 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
F1 F 0.04878 0.28741 0.26076 1.00000
F2 F 0.28741 0.04878 0.73924 1.00000
F3 F 0.11278 0.88722 0.26265 1.00000
F4 F 0.88722 0.11278 0.73735 1.00000
F5 F 0.71259 0.95122 0.26076 1.00000
F6 F 0.95122 0.71259 0.73924 1.00000
F7 F 0.41129 0.58871 0.69577 1.00000
F8 F 0.58871 0.41129 0.30423 1.00000
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