Pr5Nd8Y
Alexandria ALEXAlex-ID: agm015542002 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_5_spg82
PrNd2 Pr3Nd3Y2 Pr
2025-03-02 05:54:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015542002).
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 agm015542002
data_agm015542002
_cell_length_a 6.38617
_cell_length_b 9.76339
_cell_length_c 9.76347
_cell_angle_alpha 59.94655
_cell_angle_beta 77.40272
_cell_angle_gamma 70.86042
_cell_volume 496.70769
_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
Pr1 Pr 0.33961 0.66096 0.90947 1.00000
Pr2 Pr 0.83973 0.94596 0.98199 1.00000
Pr3 Pr 0.83935 0.08909 0.26916 1.00000
Pr4 Pr 0.33809 0.51830 0.62472 1.00000
Pr5 Pr 0.34045 0.08907 0.76702 1.00000
Nd1 Nd 0.83840 0.37640 0.83908 1.00000
Nd2 Nd 0.33947 0.80321 0.19687 1.00000
Nd3 Nd 0.83914 0.51834 0.12463 1.00000
Nd4 Nd 0.33895 0.37499 0.33879 1.00000
Nd5 Nd 0.33939 0.94584 0.48287 1.00000
Nd6 Nd 0.83875 0.66069 0.41170 1.00000
Nd7 Nd 0.84033 0.23158 0.55349 1.00000
Nd8 Nd 0.33894 0.23213 0.05395 1.00000
Y1 Y 0.83938 0.80347 0.69625 1.00000
获取直接链接