Nd3Ag2Au
Alexandria ALEXAlex-ID: agm034219640 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2535_spg2
Nd2AgAu NdAg
2025-04-14 22:57:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034219640).
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 agm034219640
data_agm034219640
_cell_length_a 5.28145
_cell_length_b 8.37057
_cell_length_c 8.38747
_cell_angle_alpha 101.52697
_cell_angle_beta 108.32338
_cell_angle_gamma 108.54071
_cell_volume 314.67110
_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 0.33386 0.91765 0.74984 1.00000
Nd2 Nd 0.99243 0.74237 0.24167 1.00000
Nd3 Nd 0.66614 0.08235 0.25016 1.00000
Nd4 Nd 0.33250 0.42059 0.24505 1.00000
Nd5 Nd 0.66750 0.57941 0.75495 1.00000
Nd6 Nd 0.00757 0.25763 0.75833 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.50000 0.50000 1.00000
Ag3 Ag 0.32855 0.16419 0.49319 1.00000
Ag4 Ag 0.67145 0.83581 0.50681 1.00000
Au1 Au 0.34030 0.67997 0.99897 1.00000
Au2 Au 0.65970 0.32003 0.00103 1.00000
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