Sr(Nd2Cu)4
Alexandria ALEXAlex-ID: agm097467894 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1607_spg8
NdCu Sr Nd
2025-06-15 04:18:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097467894).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm097467894
data_agm097467894
_cell_length_a 3.79475
_cell_length_b 10.32932
_cell_length_c 10.75547
_cell_angle_alpha 62.85768
_cell_angle_beta 89.98665
_cell_angle_gamma 90.00230
_cell_volume 375.15795
_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
Sr1 Sr 0.73049 0.09791 0.08351 1.00000
Nd1 Nd 0.23107 0.17220 0.36458 1.00000
Nd2 Nd 0.73061 0.49434 0.09936 1.00000
Nd3 Nd 0.73135 0.83578 0.46445 1.00000
Nd4 Nd 0.23058 0.14835 0.74817 1.00000
Nd5 Nd 0.23059 0.73474 0.19212 1.00000
Nd6 Nd 0.73105 0.40884 0.44929 1.00000
Nd7 Nd 0.73084 0.47324 0.75036 1.00000
Nd8 Nd 0.23075 0.76378 0.79462 1.00000
Cu1 Cu 0.73037 0.88801 0.92784 1.00000
Cu2 Cu 0.23057 0.36422 0.98357 1.00000
Cu3 Cu 0.23107 0.59496 0.51983 1.00000
Cu4 Cu 0.73065 0.02363 0.62232 1.00000
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