Tb2PF3
Alexandria ALEXAlex-ID: agm003425366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_897_spg12
TbP TbF3
2022-02-13 02:34:49.402042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003425366).
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 agm003425366
data_agm003425366
_cell_length_a 3.82492
_cell_length_b 7.48942
_cell_length_c 7.72510
_cell_angle_alpha 116.54632
_cell_angle_beta 90.00000
_cell_angle_gamma 104.79459
_cell_volume 189.72932
_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
Tb1 Tb 0.48085 0.96170 0.77140 1.00000
Tb2 Tb 0.51915 0.03830 0.22860 1.00000
Tb3 Tb 0.78693 0.57386 0.28192 1.00000
Tb4 Tb 0.21307 0.42614 0.71808 1.00000
P1 P 0.86940 0.73879 0.95181 1.00000
P2 P 0.13060 0.26121 0.04819 1.00000
F1 F 0.31044 0.62087 0.55143 1.00000
F2 F 0.94028 0.88055 0.58797 1.00000
F3 F 0.60895 0.21791 0.68022 1.00000
F4 F 0.39105 0.78209 0.31978 1.00000
F5 F 0.05972 0.11945 0.41203 1.00000
F6 F 0.68956 0.37913 0.44857 1.00000
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