Nd4Y4Er3
Alexandria ALEXAlex-ID: agm005703183 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_146_spg12
NdY2 NdYEr Nd
2023-06-30 05:00:28.730600
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703183).
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
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# CIF generated by HEAS from Alexandria entry agm005703183
data_agm005703183
_cell_length_a 3.62059
_cell_length_b 9.33855
_cell_length_c 12.13019
_cell_angle_alpha 112.63951
_cell_angle_beta 98.58272
_cell_angle_gamma 90.00000
_cell_volume 373.55078
_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 0.64222 0.46392 0.28443 1.00000
Nd2 Nd 0.35778 0.17949 0.71557 1.00000
Nd3 Nd 0.35778 0.53608 0.71557 1.00000
Nd4 Nd 0.64222 0.82051 0.28443 1.00000
Y1 Y 0.74054 0.24054 0.48109 1.00000
Y2 Y 0.25946 0.75946 0.51891 1.00000
Y3 Y 0.50000 0.81848 1.00000 1.00000
Y4 Y 0.50000 0.18152 0.00000 1.00000
Er1 Er 0.89206 0.89206 0.78412 1.00000
Er2 Er 0.10794 0.10794 0.21588 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
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