SrCa2NdAu4
Alexandria ALEXAlex-ID: agm004804438 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
CaNdAu2 CaAu SrAu
2022-07-18 00:49:12.463045
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004804438).
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 agm004804438
data_agm004804438
_cell_length_a 5.24677
_cell_length_b 5.24677
_cell_length_c 9.10779
_cell_angle_alpha 73.25952
_cell_angle_beta 73.25952
_cell_angle_gamma 60.00000
_cell_volume 204.77203
_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 0.00000 0.00000 0.00000 1.00000
Ca1 Ca 0.74922 0.74922 0.75234 1.00000
Ca2 Ca 0.25078 0.25078 0.24766 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.37958 0.37958 0.86127 1.00000
Au2 Au 0.86968 0.86968 0.39097 1.00000
Au3 Au 0.13032 0.13032 0.60903 1.00000
Au4 Au 0.62042 0.62042 0.13873 1.00000
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