Nd8GaAu2
Alexandria ALEXAlex-ID: agm003530652 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_277_spg12
Nd5Ga3 Nd2Au Nd
2022-03-15 07:50:11.139813
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003530652).
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 agm003530652
data_agm003530652
_cell_length_a 5.25169
_cell_length_b 7.11152
_cell_length_c 9.74724
_cell_angle_alpha 108.04232
_cell_angle_beta 105.62817
_cell_angle_gamma 90.00000
_cell_volume 331.95124
_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 0.40889 0.53286 0.81779 1.00000
Nd2 Nd 0.66949 0.99107 0.33897 1.00000
Nd3 Nd 0.80189 0.66375 0.60378 1.00000
Nd4 Nd 0.97777 0.22248 0.95554 1.00000
Nd5 Nd 0.19811 0.33625 0.39622 1.00000
Nd6 Nd 0.33051 0.00893 0.66103 1.00000
Nd7 Nd 0.59111 0.46714 0.18221 1.00000
Nd8 Nd 0.02223 0.77752 0.04446 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Au1 Au 0.82518 0.26673 0.65036 1.00000
Au2 Au 0.17482 0.73327 0.34964 1.00000
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