PmNdDy5Ho2
Alexandria ALEXAlex-ID: agm005148012 · 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
NdDy4Ho Pm2DyHo6 Pm3NdDy4 Dy5Ho
2023-01-16 14:11:59.365378
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005148012).
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 agm005148012
data_agm005148012
_cell_length_a 5.61805
_cell_length_b 10.31786
_cell_length_c 10.60829
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.79813
_cell_volume 591.69514
_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 0.79878 0.59756 0.51190 1.00000
Pm2 Pm 0.20122 0.40244 0.01190 1.00000
Nd1 Nd 0.58318 0.16635 0.95067 1.00000
Nd2 Nd 0.41682 0.83365 0.45067 1.00000
Dy1 Dy 0.39086 0.78173 0.02396 1.00000
Dy2 Dy 0.71839 0.43678 0.81016 1.00000
Dy3 Dy 0.47793 0.95587 0.73641 1.00000
Dy4 Dy 0.29863 0.59725 0.70855 1.00000
Dy5 Dy 0.98262 0.96523 0.52646 1.00000
Dy6 Dy 0.60914 0.21827 0.52396 1.00000
Dy7 Dy 0.28161 0.56322 0.31016 1.00000
Dy8 Dy 0.52207 0.04413 0.23641 1.00000
Dy9 Dy 0.70137 0.40275 0.20855 1.00000
Dy10 Dy 0.01738 0.03477 0.02646 1.00000
Ho1 Ho 0.88616 0.77232 0.82075 1.00000
Ho2 Ho 0.11022 0.22044 0.73512 1.00000
Ho3 Ho 0.11384 0.22768 0.32075 1.00000
Ho4 Ho 0.88978 0.77956 0.23512 1.00000
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