NdDyY5Ho2
Alexandria ALEXAlex-ID: agm005146483 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Dy2Ho7 Dy5Ho Y5Ho NdY2
2023-01-19 17:08:58.210286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146483).
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 agm005146483
data_agm005146483
_cell_length_a 5.62909
_cell_length_b 10.37634
_cell_length_c 10.55491
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.73845
_cell_volume 593.39290
_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 0.58453 0.16905 0.94937 1.00000
Nd2 Nd 0.41547 0.83095 0.44937 1.00000
Dy1 Dy 0.80272 0.60543 0.51348 1.00000
Dy2 Dy 0.19728 0.39457 0.01348 1.00000
Y1 Y 0.38412 0.76825 0.02296 1.00000
Y2 Y 0.72085 0.44170 0.81816 1.00000
Y3 Y 0.47857 0.95713 0.73636 1.00000
Y4 Y 0.29834 0.59668 0.70764 1.00000
Y5 Y 0.98277 0.96554 0.52254 1.00000
Y6 Y 0.61588 0.23175 0.52296 1.00000
Y7 Y 0.27915 0.55830 0.31816 1.00000
Y8 Y 0.52143 0.04287 0.23636 1.00000
Y9 Y 0.70166 0.40332 0.20764 1.00000
Y10 Y 0.01723 0.03446 0.02254 1.00000
Ho1 Ho 0.88730 0.77459 0.81813 1.00000
Ho2 Ho 0.11141 0.22282 0.73533 1.00000
Ho3 Ho 0.11270 0.22541 0.31813 1.00000
Ho4 Ho 0.88859 0.77718 0.23533 1.00000
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