La2(NdDy)5
Alexandria ALEXAlex-ID: agm005648463 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_18_spg12
La3Nd5 Nd3Dy5 LaDy4
2023-06-19 01:11:35.906577
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648463).
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 agm005648463
data_agm005648463
_cell_length_a 5.13091
_cell_length_b 10.91227
_cell_length_c 8.14167
_cell_angle_alpha 98.48765
_cell_angle_beta 71.63305
_cell_angle_gamma 76.40258
_cell_volume 408.18087
_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
La1 La 0.33483 0.50044 0.82990 1.00000
La2 La 0.66517 0.49956 0.17010 1.00000
Nd1 Nd 0.67005 0.24634 0.41357 1.00000
Nd2 Nd 0.00233 0.24660 0.74875 1.00000
Nd3 Nd 0.99767 0.75340 0.25125 1.00000
Nd4 Nd 0.32995 0.75366 0.58643 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.66547 0.75296 0.91609 1.00000
Dy3 Dy 0.33403 0.99870 0.33325 1.00000
Dy4 Dy 0.66597 0.00130 0.66675 1.00000
Dy5 Dy 0.33453 0.24704 0.08391 1.00000
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