PmDyY5Ho2
Alexandria ALEXAlex-ID: agm005154559 · 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
Pm2DyY6 Dy2Ho7 Dy5Ho Y5Ho
2023-01-26 04:21:43.145306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154559).
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 agm005154559
data_agm005154559
_cell_length_a 5.62657
_cell_length_b 10.44477
_cell_length_c 10.51923
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.62551
_cell_volume 595.34967
_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
Pm1 Pm 0.80304 0.60607 0.51382 1.00000
Pm2 Pm 0.19696 0.39393 0.01382 1.00000
Dy1 Dy 0.58683 0.17365 0.95051 1.00000
Dy2 Dy 0.41317 0.82635 0.45051 1.00000
Y1 Y 0.38885 0.77771 0.02476 1.00000
Y2 Y 0.72150 0.44299 0.81447 1.00000
Y3 Y 0.47844 0.95688 0.73740 1.00000
Y4 Y 0.30079 0.60158 0.70515 1.00000
Y5 Y 0.98360 0.96721 0.52295 1.00000
Y6 Y 0.61115 0.22229 0.52476 1.00000
Y7 Y 0.27850 0.55701 0.31447 1.00000
Y8 Y 0.52156 0.04312 0.23740 1.00000
Y9 Y 0.69921 0.39842 0.20515 1.00000
Y10 Y 0.01640 0.03279 0.02295 1.00000
Ho1 Ho 0.88737 0.77474 0.81900 1.00000
Ho2 Ho 0.11055 0.22111 0.73592 1.00000
Ho3 Ho 0.11263 0.22526 0.31900 1.00000
Ho4 Ho 0.88945 0.77889 0.23592 1.00000
获取直接链接