Nd2Al3AgAu4
Alexandria ALEXAlex-ID: agm004530271 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D4_7_spg115
NdAu2 Nd(AlAu)2 Ag
2022-06-21 00:54:31.396751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004530271).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm004530271
data_agm004530271
_cell_length_a 4.39394
_cell_length_b 4.39394
_cell_length_c 10.95030
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 211.41392
_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 0.50000 0.00000 0.24411 1.00000
Nd2 Nd 0.00000 0.50000 0.75589 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.50000 0.00000 0.87530 1.00000
Al3 Al 0.00000 0.50000 0.12470 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.50000 0.00000 0.64839 1.00000
Au4 Au 0.00000 0.50000 0.35161 1.00000
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