Cd6AsF8
Alexandria ALEXAlex-ID: agm072558058 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Cd3As2 Cd CdF2
2024-10-06 02:41:09.305062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072558058).
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 agm072558058
data_agm072558058
_cell_length_a 6.76370
_cell_length_b 6.78087
_cell_length_c 7.20102
_cell_angle_alpha 65.69063
_cell_angle_beta 64.96852
_cell_angle_gamma 60.39694
_cell_volume 251.42937
_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
Cd1 Cd 0.36592 0.98511 0.19484 1.00000
Cd2 Cd 0.00068 0.68316 0.20480 1.00000
Cd3 Cd 0.62293 0.32834 0.24155 1.00000
Cd4 Cd 0.14888 0.20692 0.73792 1.00000
Cd5 Cd 0.51396 0.50885 0.72801 1.00000
Cd6 Cd 0.89179 0.86375 0.69106 1.00000
As1 As 0.75740 0.09600 0.96632 1.00000
F1 F 0.39160 0.68214 0.03854 1.00000
F2 F 0.12309 0.50978 0.89410 1.00000
F3 F 0.23117 0.32518 0.35393 1.00000
F4 F 0.67051 0.57751 0.32928 1.00000
F5 F 0.99247 0.98957 0.32958 1.00000
F6 F 0.28358 0.86684 0.57881 1.00000
F7 F 0.84420 0.61460 0.60332 1.00000
F8 F 0.52236 0.20244 0.60299 1.00000
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