Nd5(SbAu)2
Alexandria ALEXAlex-ID: agm009698352 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_516_spg64
Nd5Sb3 NdSb NdAu
2024-03-31 23:49:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009698352).
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 agm009698352
data_agm009698352
_cell_length_a 9.00052
_cell_length_b 9.00052
_cell_length_c 8.17835
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 125.98705
_cell_volume 536.08012
_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 0.00000 0.00000 0.50000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.79643 0.53122 0.66051 1.00000
Nd4 Nd 0.46878 0.20357 0.33949 1.00000
Nd5 Nd 0.96878 0.70357 0.16051 1.00000
Nd6 Nd 0.29643 0.03122 0.83949 1.00000
Nd7 Nd 0.20357 0.46878 0.33949 1.00000
Nd8 Nd 0.53122 0.79643 0.66051 1.00000
Nd9 Nd 0.03122 0.29643 0.83949 1.00000
Nd10 Nd 0.70357 0.96878 0.16051 1.00000
Sb1 Sb 0.20283 0.79717 0.50000 1.00000
Sb2 Sb 0.70283 0.29717 0.00000 1.00000
Sb3 Sb 0.79717 0.20283 0.50000 1.00000
Sb4 Sb 0.29717 0.70283 0.00000 1.00000
Au1 Au 0.86682 0.86682 0.86873 1.00000
Au2 Au 0.13318 0.13318 0.13127 1.00000
Au3 Au 0.63318 0.63318 0.36873 1.00000
Au4 Au 0.36682 0.36682 0.63127 1.00000
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