Nd8AgAu6
Alexandria ALEXAlex-ID: agm071852829 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_136_spg148
Nd2AgAu Nd2Au NdAu
2024-10-05 06:45:54.229349
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071852829).
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 agm071852829
data_agm071852829
_cell_length_a 7.23228
_cell_length_b 8.62860
_cell_length_c 8.73532
_cell_angle_alpha 56.29358
_cell_angle_beta 88.12665
_cell_angle_gamma 68.84115
_cell_volume 412.92224
_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
Nd1 Nd 0.91069 0.53027 0.20597 1.00000
Nd2 Nd 0.05469 0.68393 0.45162 1.00000
Nd3 Nd 0.85323 0.96980 0.66009 1.00000
Nd4 Nd 0.63084 0.46426 0.61959 1.00000
Nd5 Nd 0.62336 0.23055 0.14672 1.00000
Nd6 Nd 0.11207 0.24441 0.99749 1.00000
Nd7 Nd 0.33455 0.74997 0.03796 1.00000
Nd8 Nd 0.34196 0.98365 0.51086 1.00000
Ag1 Ag 0.48264 0.10719 0.82883 1.00000
Au1 Au 0.07162 0.23261 0.64835 1.00000
Au2 Au 0.26835 0.59168 0.80413 1.00000
Au3 Au 0.54825 0.86231 0.24898 1.00000
Au4 Au 0.89376 0.98158 0.00921 1.00000
Au5 Au 0.69700 0.62251 0.85347 1.00000
Au6 Au 0.41707 0.35190 0.40860 1.00000
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