Sr(CdAu3)2
Alexandria ALEXAlex-ID: agm005603548 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_735_spg191
CdAu3 SrAu5 Sr(CdAu2)2
2023-07-09 15:14:16.123728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603548).
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 agm005603548
data_agm005603548
_cell_length_a 3.18527
_cell_length_b 8.32973
_cell_length_c 8.32975
_cell_angle_alpha 120.00001
_cell_angle_beta 89.99991
_cell_angle_gamma 90.00004
_cell_volume 191.39890
_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
Sr1 Sr 0.00000 0.00000 1.00000 1.00000
Cd1 Cd 0.00000 0.33333 0.66667 1.00000
Cd2 Cd 1.00000 0.66667 0.33333 1.00000
Au1 Au 0.50000 0.33538 0.33538 1.00000
Au2 Au 0.50000 0.66462 0.66462 1.00000
Au3 Au 0.50000 0.00000 0.66462 1.00000
Au4 Au 0.50000 0.66462 1.00000 1.00000
Au5 Au 0.50000 0.33538 0.00000 1.00000
Au6 Au 0.50000 1.00000 0.33538 1.00000
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