NdSi2Au
Alexandria ALEXAlex-ID: agm005753082 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9020_spg62
Nd2Si3Au Nd(SiAu)2 Si
2023-07-13 12:44:04.843879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753082).
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 agm005753082
data_agm005753082
_cell_length_a 4.29373
_cell_length_b 10.77116
_cell_length_c 13.81407
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 638.87939
_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 0.75000 0.47368 0.69435 1.00000
Nd2 Nd 0.25000 0.97368 0.80565 1.00000
Nd3 Nd 0.25000 0.52632 0.30565 1.00000
Nd4 Nd 0.75000 0.02632 0.19435 1.00000
Nd5 Nd 0.75000 0.24763 0.95158 1.00000
Nd6 Nd 0.25000 0.74763 0.54842 1.00000
Nd7 Nd 0.25000 0.75237 0.04842 1.00000
Nd8 Nd 0.75000 0.25237 0.45158 1.00000
Si1 Si 0.75000 0.96049 0.97522 1.00000
Si2 Si 0.25000 0.46049 0.52478 1.00000
Si3 Si 0.25000 0.03951 0.02478 1.00000
Si4 Si 0.75000 0.53951 0.47522 1.00000
Si5 Si 0.75000 0.77681 0.88580 1.00000
Si6 Si 0.25000 0.27681 0.61420 1.00000
Si7 Si 0.25000 0.22319 0.11420 1.00000
Si8 Si 0.75000 0.72319 0.38580 1.00000
Si9 Si 0.75000 0.77560 0.71026 1.00000
Si10 Si 0.25000 0.27560 0.78974 1.00000
Si11 Si 0.25000 0.22440 0.28974 1.00000
Si12 Si 0.75000 0.72440 0.21026 1.00000
Si13 Si 0.75000 0.96908 0.63252 1.00000
Si14 Si 0.25000 0.46908 0.86748 1.00000
Si15 Si 0.25000 0.03092 0.36748 1.00000
Si16 Si 0.75000 0.53092 0.13252 1.00000
Au1 Au 0.75000 0.55498 0.94019 1.00000
Au2 Au 0.25000 0.05498 0.55981 1.00000
Au3 Au 0.25000 0.44502 0.05981 1.00000
Au4 Au 0.75000 0.94502 0.44019 1.00000
Au5 Au 0.75000 0.32479 0.22623 1.00000
Au6 Au 0.25000 0.82479 0.27377 1.00000
Au7 Au 0.25000 0.67521 0.77377 1.00000
Au8 Au 0.75000 0.17521 0.72623 1.00000
