Nd10YEr4
Alexandria ALEXAlex-ID: agm005996986 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_63_spg87
NdYEr Nd NdEr2
2023-08-09 02:37:28.201434
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996986).
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 agm005996986
data_agm005996986
_cell_length_a 10.87204
_cell_length_b 8.93279
_cell_length_c 8.93279
_cell_angle_alpha 68.26408
_cell_angle_beta 52.51551
_cell_angle_gamma 52.51550
_cell_volume 546.25957
_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 0.25000 0.50000 0.50000 1.00000
Nd2 Nd 0.71333 0.34738 0.89283 1.00000
Nd3 Nd 0.93929 0.10717 0.34738 1.00000
Nd4 Nd 0.39384 0.89283 0.65262 1.00000
Nd5 Nd 0.95354 0.65262 0.10717 1.00000
Nd6 Nd 0.28667 0.65262 0.10717 1.00000
Nd7 Nd 0.75000 0.50000 0.50000 1.00000
Nd8 Nd 0.04646 0.34738 0.89283 1.00000
Nd9 Nd 0.60616 0.10717 0.34738 1.00000
Nd10 Nd 0.06071 0.89283 0.65262 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.55583 0.66503 0.22330 1.00000
Er2 Er 0.77913 0.77670 0.66503 1.00000
Er3 Er 0.22087 0.22330 0.33497 1.00000
Er4 Er 0.44417 0.33497 0.77670 1.00000
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