Nd2Dy12Y5
Alexandria ALEXAlex-ID: agm005654620 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_394_spg2
NdDy4Y Dy5Y NdY2
2023-06-26 18:08:42.695348
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654620).
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 agm005654620
data_agm005654620
_cell_length_a 6.26837
_cell_length_b 12.11373
_cell_length_c 17.34460
_cell_angle_alpha 151.48223
_cell_angle_beta 102.17852
_cell_angle_gamma 80.38355
_cell_volume 614.16888
_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
Nd1 Nd 0.74039 0.05804 0.99496 1.00000
Nd2 Nd 0.25961 0.94196 0.00504 1.00000
Dy1 Dy 0.16478 0.11535 0.29261 1.00000
Dy2 Dy 0.27128 0.53832 0.89772 1.00000
Dy3 Dy 0.76677 0.74685 0.96239 1.00000
Dy4 Dy 0.08722 0.53958 0.37557 1.00000
Dy5 Dy 0.54135 0.74970 0.42435 1.00000
Dy6 Dy 0.31210 0.09465 0.76041 1.00000
Dy7 Dy 0.68790 0.90535 0.23959 1.00000
Dy8 Dy 0.91278 0.46042 0.62443 1.00000
Dy9 Dy 0.45865 0.25030 0.57565 1.00000
Dy10 Dy 0.72872 0.46168 0.10228 1.00000
Dy11 Dy 0.23323 0.25315 0.03761 1.00000
Dy12 Dy 0.83522 0.88465 0.70739 1.00000
Y1 Y 0.35895 0.66684 0.65890 1.00000
Y2 Y 0.21421 0.68629 0.17417 1.00000
Y3 Y 0.00000 0.00000 0.50000 1.00000
Y4 Y 0.78579 0.31371 0.82583 1.00000
Y5 Y 0.64105 0.33316 0.34110 1.00000
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