Pr6CdAu8
Alexandria ALEXAlex-ID: agm072581997 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_342_spg2
Pr3(CdAu2)2 PrAu2 PrAu
2024-10-05 14:56:07.906637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072581997).
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 agm072581997
data_agm072581997
_cell_length_a 7.89604
_cell_length_b 7.89604
_cell_length_c 7.89604
_cell_angle_alpha 68.33565
_cell_angle_beta 68.33565
_cell_angle_gamma 68.33565
_cell_volume 409.45668
_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
Pr1 Pr 0.86590 0.59443 0.32172 1.00000
Pr2 Pr 0.59443 0.32172 0.86590 1.00000
Pr3 Pr 0.32172 0.86590 0.59443 1.00000
Pr4 Pr 0.13410 0.40557 0.67828 1.00000
Pr5 Pr 0.40557 0.67828 0.13410 1.00000
Pr6 Pr 0.67828 0.13410 0.40557 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.71067 0.71067 0.71067 1.00000
Au2 Au 0.28933 0.28933 0.28933 1.00000
Au3 Au 0.17644 0.57483 0.95017 1.00000
Au4 Au 0.57483 0.95017 0.17644 1.00000
Au5 Au 0.95017 0.17644 0.57483 1.00000
Au6 Au 0.82356 0.42517 0.04983 1.00000
Au7 Au 0.42517 0.04983 0.82356 1.00000
Au8 Au 0.04983 0.82356 0.42517 1.00000
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