Nd2Y5Er4
Alexandria ALEXAlex-ID: agm005640024 · 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_156_spg12
NdY2 YEr5 Y5Er
2023-06-22 21:33:45.912044
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640024).
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 agm005640024
data_agm005640024
_cell_length_a 3.46840
_cell_length_b 8.74374
_cell_length_c 12.05609
_cell_angle_alpha 96.20923
_cell_angle_beta 98.25379
_cell_angle_gamma 90.01231
_cell_volume 359.66631
_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 0.90769 0.25858 0.81539 1.00000
Nd2 Nd 0.09231 0.74142 0.18461 1.00000
Y1 Y 0.14038 0.12294 0.28074 1.00000
Y2 Y 0.85962 0.87706 0.71926 1.00000
Y3 Y 0.23311 0.82272 0.46617 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.76689 0.17728 0.53383 1.00000
Er1 Er 0.67675 0.47306 0.35355 1.00000
Er2 Er 0.04548 0.36239 0.09092 1.00000
Er3 Er 0.32325 0.52694 0.64645 1.00000
Er4 Er 0.95452 0.63761 0.90908 1.00000
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