Pm(CdAu5)2
Alexandria ALEXAlex-ID: agm003385972 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_0_spg69
CdAu3 PmAu3 Au
2022-02-12 11:08:47.006104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003385972).
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 agm003385972
data_agm003385972
_cell_length_a 5.69250
_cell_length_b 7.54941
_cell_length_c 7.17114
_cell_angle_alpha 81.39398
_cell_angle_beta 66.61526
_cell_angle_gamma 67.85099
_cell_volume 261.99250
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.50000 0.00000 1.00000
Cd2 Cd 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.34263 0.66130 0.65344 1.00000
Au2 Au 0.65737 0.33870 0.34656 1.00000
Au3 Au 0.00393 0.33870 0.65344 1.00000
Au4 Au 0.99607 0.66130 0.34656 1.00000
Au5 Au 0.00000 0.00000 0.50000 1.00000
Au6 Au 0.50000 0.00000 0.50000 1.00000
Au7 Au 0.28744 0.21222 0.21290 1.00000
Au8 Au 0.71256 0.78778 0.78710 1.00000
Au9 Au 0.49966 0.78778 0.21290 1.00000
Au10 Au 0.50034 0.21222 0.78710 1.00000
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