DyPbF7
Alexandria ALEXAlex-ID: agm024105676 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
DyPbF7
2024-08-26 01:04:49.992101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024105676).
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 agm024105676
data_agm024105676
_cell_length_a 5.85615
_cell_length_b 6.10866
_cell_length_c 8.39193
_cell_angle_alpha 76.78072
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 292.25179
_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
Dy1 Dy 0.75806 0.15244 0.31256 1.00000
Dy2 Dy 0.25806 0.84756 0.68744 1.00000
Pb1 Pb 0.76004 0.31427 0.77246 1.00000
Pb2 Pb 0.26004 0.68573 0.22754 1.00000
F1 F 0.50066 0.99641 0.49510 1.00000
F2 F 0.00066 0.00359 0.50490 1.00000
F3 F 0.46896 0.40035 0.24319 1.00000
F4 F 0.96896 0.59965 0.75681 1.00000
F5 F 0.75208 0.27352 0.02558 1.00000
F6 F 0.25208 0.72648 0.97442 1.00000
F7 F 0.98610 0.45709 0.23917 1.00000
F8 F 0.48610 0.54291 0.76083 1.00000
F9 F 0.55629 0.88734 0.20895 1.00000
F10 F 0.05629 0.11266 0.79105 1.00000
F11 F 0.53461 0.03956 0.80129 1.00000
F12 F 0.03461 0.96044 0.19871 1.00000
F13 F 0.74511 0.37437 0.51757 1.00000
F14 F 0.24511 0.62563 0.48243 1.00000
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