PmPrNd5Dy2
Alexandria ALEXAlex-ID: agm005147882 · 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
PrNd2 Pm3NdDy4 PmNd3Dy4 Nd
2023-01-19 13:54:36.757859
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005147882).
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 agm005147882
data_agm005147882
_cell_length_a 5.74812
_cell_length_b 10.67466
_cell_length_c 10.69115
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.61912
_cell_volume 631.77649
_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 0.79969 0.59938 0.51087 1.00000
Pm2 Pm 0.20031 0.40062 0.01087 1.00000
Pr1 Pr 0.58676 0.17352 0.94945 1.00000
Pr2 Pr 0.41324 0.82648 0.44945 1.00000
Nd1 Nd 0.39061 0.78123 0.02635 1.00000
Nd2 Nd 0.71994 0.43987 0.81136 1.00000
Nd3 Nd 0.47703 0.95407 0.74056 1.00000
Nd4 Nd 0.29637 0.59275 0.70565 1.00000
Nd5 Nd 0.98364 0.96729 0.52351 1.00000
Nd6 Nd 0.60939 0.21877 0.52635 1.00000
Nd7 Nd 0.28006 0.56013 0.31136 1.00000
Nd8 Nd 0.52297 0.04593 0.24056 1.00000
Nd9 Nd 0.70363 0.40725 0.20565 1.00000
Nd10 Nd 0.01636 0.03271 0.02351 1.00000
Dy1 Dy 0.88268 0.76536 0.82334 1.00000
Dy2 Dy 0.11301 0.22602 0.73288 1.00000
Dy3 Dy 0.11732 0.23464 0.32334 1.00000
Dy4 Dy 0.88699 0.77398 0.23288 1.00000
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