PaCd2F8
Alexandria ALEXAlex-ID: agm077806643 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_133_spg12
PaCdF7 CdF2 Cd
2025-01-09 12:53:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077806643).
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 agm077806643
data_agm077806643
_cell_length_a 6.13924
_cell_length_b 6.13924
_cell_length_c 5.17071
_cell_angle_alpha 79.16662
_cell_angle_beta 100.83338
_cell_angle_gamma 66.40780
_cell_volume 167.74769
_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
Pa1 Pa 0.00380 0.99620 0.29731 1.00000
Cd1 Cd 0.28885 0.35626 0.92837 1.00000
Cd2 Cd 0.64374 0.71115 0.92837 1.00000
F1 F 0.34550 0.93198 0.14014 1.00000
F2 F 0.06802 0.65450 0.14014 1.00000
F3 F 0.83308 0.82336 0.54733 1.00000
F4 F 0.17664 0.16692 0.54733 1.00000
F5 F 0.93131 0.33923 0.92476 1.00000
F6 F 0.66077 0.06869 0.92476 1.00000
F7 F 0.33846 0.66154 0.65954 1.00000
F8 F 0.64117 0.35883 0.23403 1.00000
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