Nd3Y8Ho3
Alexandria ALEXAlex-ID: agm005690177 · 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
A3B3C8_31_spg71
NdY2 Nd2Ho7 Y5Ho
2023-06-30 23:56:34.636988
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690177).
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 agm005690177
data_agm005690177
_cell_length_a 5.69032
_cell_length_b 9.72022
_cell_length_c 9.71904
_cell_angle_alpha 101.96062
_cell_angle_beta 72.97574
_cell_angle_gamma 72.97825
_cell_volume 465.58713
_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 0.50008 0.99992 0.99993 1.00000
Nd2 Nd 0.99996 0.81823 0.18186 1.00000
Nd3 Nd 0.00002 0.18179 0.81817 1.00000
Y1 Y 0.65976 0.11981 0.56066 1.00000
Y2 Y 0.34022 0.88018 0.43938 1.00000
Y3 Y 0.65974 0.56068 0.11983 1.00000
Y4 Y 0.34024 0.43936 0.88017 1.00000
Y5 Y 0.84167 0.76078 0.55589 1.00000
Y6 Y 0.15832 0.23922 0.44412 1.00000
Y7 Y 0.84171 0.55589 0.76071 1.00000
Y8 Y 0.15829 0.44411 0.23929 1.00000
Ho1 Ho 0.50001 0.49999 0.49999 1.00000
Ho2 Ho 0.79669 0.20341 0.20333 1.00000
Ho3 Ho 0.20329 0.79661 0.79669 1.00000
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