Nd4Y5Er2
Alexandria ALEXAlex-ID: agm005640010 · 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
A2B4C5_175_spg12
NdY2 NdYEr Nd
2023-06-22 21:17:04.459088
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640010).
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 agm005640010
data_agm005640010
_cell_length_a 3.55877
_cell_length_b 8.68197
_cell_length_c 12.21559
_cell_angle_alpha 94.55918
_cell_angle_beta 98.37583
_cell_angle_gamma 90.00003
_cell_volume 372.19363
_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 0.27555 0.17390 0.55110 1.00000
Nd2 Nd 0.96035 0.65612 0.92070 1.00000
Nd3 Nd 0.72445 0.82610 0.44890 1.00000
Nd4 Nd 0.03965 0.34388 0.07930 1.00000
Y1 Y 0.81534 0.52600 0.63067 1.00000
Y2 Y 0.18466 0.47400 0.36933 1.00000
Y3 Y 0.87000 0.95484 0.74000 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.13000 0.04516 0.26000 1.00000
Er1 Er 0.41213 0.30379 0.82425 1.00000
Er2 Er 0.58787 0.69621 0.17575 1.00000
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