Pm5NdDyY2
Alexandria ALEXAlex-ID: agm005146463 · 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
Pm3NdY4 Pm3NdDy4 Pm5Y Pm2Nd
2023-01-19 15:05:58.207640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146463).
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 agm005146463
data_agm005146463
_cell_length_a 5.71862
_cell_length_b 10.55803
_cell_length_c 10.65336
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.71297
_cell_volume 619.18470
_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 0.38905 0.77809 0.02366 1.00000
Pm2 Pm 0.71883 0.43767 0.81240 1.00000
Pm3 Pm 0.47926 0.95852 0.74104 1.00000
Pm4 Pm 0.29717 0.59434 0.70601 1.00000
Pm5 Pm 0.98183 0.96366 0.52207 1.00000
Pm6 Pm 0.61095 0.22191 0.52366 1.00000
Pm7 Pm 0.28117 0.56233 0.31240 1.00000
Pm8 Pm 0.52074 0.04148 0.24104 1.00000
Pm9 Pm 0.70283 0.40566 0.20601 1.00000
Pm10 Pm 0.01817 0.03634 0.02207 1.00000
Nd1 Nd 0.58699 0.17398 0.95423 1.00000
Nd2 Nd 0.41301 0.82602 0.45423 1.00000
Dy1 Dy 0.79951 0.59902 0.51072 1.00000
Dy2 Dy 0.20049 0.40098 0.01072 1.00000
Y1 Y 0.88376 0.76751 0.82060 1.00000
Y2 Y 0.11277 0.22554 0.73325 1.00000
Y3 Y 0.11624 0.23249 0.32060 1.00000
Y4 Y 0.88723 0.77446 0.23325 1.00000
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