Nd2Y12Ho5
Alexandria ALEXAlex-ID: agm005654748 · 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
A2B5C12_535_spg2
NdY2 Nd2Ho7 Y5Ho
2023-06-26 12:55:56.618243
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654748).
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 agm005654748
data_agm005654748
_cell_length_a 6.94093
_cell_length_b 9.67305
_cell_length_c 14.20860
_cell_angle_alpha 120.05577
_cell_angle_beta 92.87261
_cell_angle_gamma 121.39526
_cell_volume 639.31030
_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 0.78345 0.05098 0.03549 1.00000
Nd2 Nd 0.21655 0.94902 0.96451 1.00000
Y1 Y 0.99248 0.95446 0.21083 1.00000
Y2 Y 0.14415 0.51286 0.90814 1.00000
Y3 Y 0.62143 0.50865 0.88033 1.00000
Y4 Y 0.07738 0.73803 0.57343 1.00000
Y5 Y 0.49491 0.67456 0.50200 1.00000
Y6 Y 0.56910 0.08631 0.82323 1.00000
Y7 Y 0.43089 0.91369 0.17677 1.00000
Y8 Y 0.92262 0.26196 0.42657 1.00000
Y9 Y 0.50508 0.32543 0.49800 1.00000
Y10 Y 0.85584 0.48714 0.09185 1.00000
Y11 Y 0.37856 0.49135 0.11967 1.00000
Y12 Y 0.00752 0.04554 0.78917 1.00000
Ho1 Ho 0.33227 0.59826 0.71232 1.00000
Ho2 Ho 0.31295 0.81828 0.36412 1.00000
Ho3 Ho 0.00001 0.00001 0.50001 1.00000
Ho4 Ho 0.68704 0.18172 0.63588 1.00000
Ho5 Ho 0.66774 0.40175 0.28768 1.00000
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