Tb2PbF8
Alexandria ALEXAlex-ID: agm002149231 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_19_spg12
Tb3Pb4F17 TbF3
2018-06-12 19:17:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002149231).
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
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# CIF generated by HEAS from Alexandria entry agm002149231
data_agm002149231
_cell_length_a 3.74704
_cell_length_b 5.69675
_cell_length_c 8.04571
_cell_angle_alpha 66.68037
_cell_angle_beta 76.53936
_cell_angle_gamma 90.00193
_cell_volume 152.56205
_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 0.03111 0.03013 0.96965 1.00000
Tb1 Tb 0.34823 0.35475 0.33463 1.00000
Tb2 Tb 0.71327 0.70534 0.60474 1.00000
F1 F 0.92528 0.28771 0.18053 1.00000
F2 F 0.21619 0.43850 0.59879 1.00000
F3 F 0.31622 0.93058 0.39827 1.00000
F4 F 0.48064 0.71875 0.07044 1.00000
F5 F 0.74482 0.12949 0.54112 1.00000
F6 F 0.84518 0.62142 0.34067 1.00000
F7 F 0.13635 0.77235 0.75880 1.00000
F8 F 0.58137 0.34147 0.86904 1.00000
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