NbPb2F8
Alexandria ALEXAlex-ID: agm005997714 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
NbPbF7 PbF2 Nb2F5
2023-10-16 11:41:25.289553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997714).
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 agm005997714
data_agm005997714
_cell_length_a 4.76586
_cell_length_b 7.22292
_cell_length_c 7.20601
_cell_angle_alpha 120.09619
_cell_angle_beta 90.04330
_cell_angle_gamma 90.00774
_cell_volume 214.61399
_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
Pb1 Pb 0.25271 0.33352 0.66715 1.00000
Pb2 Pb 0.74729 0.66648 0.33285 1.00000
Nb1 Nb 0.00000 1.00000 1.00000 1.00000
F1 F 0.23919 0.66657 0.33274 1.00000
F2 F 0.76080 0.33343 0.66720 1.00000
F3 F 0.77595 0.86340 0.13628 1.00000
F4 F 0.22532 0.13670 0.27402 1.00000
F5 F 0.22406 0.72709 0.86290 1.00000
F6 F 0.22405 0.13659 0.86371 1.00000
F7 F 0.77468 0.86331 0.72598 1.00000
F8 F 0.77594 0.27291 0.13708 1.00000
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