La2Nd5Y12
Alexandria ALEXAlex-ID: agm003369092 · 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
A2B5C12_28_spg12
La3Nd5 NdY2 LaY2
2022-02-08 13:14:39.526810
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003369092).
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 agm003369092
data_agm003369092
_cell_length_a 9.46739
_cell_length_b 12.49904
_cell_length_c 8.76513
_cell_angle_alpha 132.73136
_cell_angle_beta 90.00000
_cell_angle_gamma 112.25473
_cell_volume 652.79930
_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
La1 La 0.67569 1.00000 0.00000 1.00000
La2 La 0.32431 0.00000 1.00000 1.00000
Nd1 Nd 0.29506 0.59012 0.60794 1.00000
Nd2 Nd 0.23042 0.46084 0.88735 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.76958 0.53916 0.11265 1.00000
Nd5 Nd 0.70494 0.40988 0.39206 1.00000
Y1 Y 0.07828 0.15655 0.28190 1.00000
Y2 Y 0.02755 0.70051 0.94135 1.00000
Y3 Y 0.67296 0.70051 0.94135 1.00000
Y4 Y 0.18247 0.74283 0.40179 1.00000
Y5 Y 0.56037 0.74283 0.40179 1.00000
Y6 Y 0.55817 0.11634 0.78400 1.00000
Y7 Y 0.44183 0.88366 0.21600 1.00000
Y8 Y 0.81753 0.25717 0.59821 1.00000
Y9 Y 0.43963 0.25717 0.59821 1.00000
Y10 Y 0.97245 0.29949 0.05865 1.00000
Y11 Y 0.32704 0.29949 0.05865 1.00000
Y12 Y 0.92172 0.84345 0.71810 1.00000
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