Nd3Y5Er4
Alexandria ALEXAlex-ID: agm005694036 · 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
A3B4C5_119_spg2
NdY2 NdYEr YEr5
2023-06-29 17:41:15.484473
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694036).
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 agm005694036
data_agm005694036
_cell_length_a 7.15380
_cell_length_b 11.31266
_cell_length_c 12.89095
_cell_angle_alpha 151.29140
_cell_angle_beta 56.38237
_cell_angle_gamma 129.26558
_cell_volume 387.98058
_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 0.58609 0.16849 0.33444 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41391 0.83151 0.66556 1.00000
Y1 Y 0.33406 0.66731 0.83326 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74854 0.50146 0.00130 1.00000
Y4 Y 0.25146 0.49854 0.99870 1.00000
Y5 Y 0.66594 0.33269 0.16674 1.00000
Er1 Er 0.91849 0.83456 0.66805 1.00000
Er2 Er 0.83507 0.66916 0.83441 1.00000
Er3 Er 0.16493 0.33084 0.16559 1.00000
Er4 Er 0.08151 0.16544 0.33195 1.00000
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