Sr2Nd5Sc2
Alexandria ALEXAlex-ID: agm009633166 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_199_spg12
Sr Nd Sc
2024-07-13 09:50:00.091224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009633166).
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 agm009633166
data_agm009633166
_cell_length_a 6.26589
_cell_length_b 6.43603
_cell_length_c 8.27332
_cell_angle_alpha 74.33617
_cell_angle_beta 82.93670
_cell_angle_gamma 80.43468
_cell_volume 315.71158
_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 0.67091 0.34122 0.67551 1.00000
Sr2 Sr 0.32909 0.65878 0.32449 1.00000
Nd1 Nd 0.77117 0.90934 0.44103 1.00000
Nd2 Nd 0.22883 0.09066 0.55897 1.00000
Nd3 Nd 0.88797 0.42999 0.20087 1.00000
Nd4 Nd 0.11203 0.57001 0.79913 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.55650 0.78478 0.89123 1.00000
Sc2 Sc 0.44350 0.21522 0.10877 1.00000
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