Pm3NdDySc
Alexandria ALEXAlex-ID: agm005037372 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_404_spg11
Pm Pm3NdDy4 Pm2Nd Sc
2022-07-09 17:10:53.303455
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005037372).
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 agm005037372
data_agm005037372
_cell_length_a 5.08348
_cell_length_b 7.95755
_cell_length_c 10.68744
_cell_angle_alpha 116.16751
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 388.01885
_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 0.75000 0.87396 0.04501 1.00000
Pm2 Pm 0.25000 0.12604 0.95499 1.00000
Pm3 Pm 0.25000 0.63541 0.45822 1.00000
Pm4 Pm 0.75000 0.36459 0.54178 1.00000
Pm5 Pm 0.75000 0.38240 0.20996 1.00000
Pm6 Pm 0.25000 0.61760 0.79004 1.00000
Nd1 Nd 0.25000 0.12129 0.29672 1.00000
Nd2 Nd 0.75000 0.87871 0.70328 1.00000
Dy1 Dy 0.25000 0.62818 0.12762 1.00000
Dy2 Dy 0.75000 0.37182 0.87238 1.00000
Sc1 Sc 0.25000 0.12128 0.62199 1.00000
Sc2 Sc 0.75000 0.87872 0.37801 1.00000
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