Nd4Y10Ho
Alexandria ALEXAlex-ID: agm005997185 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_59_spg139
NdY2 Nd2Ho7 Y5Ho
2023-08-08 20:17:38.093641
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997185).
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 agm005997185
data_agm005997185
_cell_length_a 7.93326
_cell_length_b 8.98240
_cell_length_c 8.98240
_cell_angle_alpha 78.75465
_cell_angle_beta 63.79398
_cell_angle_gamma 63.79398
_cell_volume 515.25995
_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 0.22834 0.00043 0.54289 1.00000
Nd2 Nd 0.77123 0.45711 0.00043 1.00000
Nd3 Nd 0.22877 0.54289 0.99957 1.00000
Nd4 Nd 0.77166 0.99957 0.45711 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.70912 0.20955 0.79057 1.00000
Y3 Y 0.08133 0.20943 0.20955 1.00000
Y4 Y 0.50031 0.79057 0.79045 1.00000
Y5 Y 0.70924 0.79045 0.20943 1.00000
Y6 Y 0.29088 0.79045 0.20943 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.29076 0.20955 0.79057 1.00000
Y9 Y 0.49969 0.20943 0.20955 1.00000
Y10 Y 0.91867 0.79057 0.79045 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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