Pr4Nd4Y3
Alexandria ALEXAlex-ID: agm005693992 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Pr(NdY3)2 Pr2NdY6 Pr3Nd3Y2
2023-07-02 02:15:07.345464
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693992).
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 agm005693992
data_agm005693992
_cell_length_a 3.66308
_cell_length_b 5.19146
_cell_length_c 20.35683
_cell_angle_alpha 97.31376
_cell_angle_beta 95.18804
_cell_angle_gamma 90.05323
_cell_volume 382.36738
_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 0.54550 0.54545 0.09101 1.00000
Pr2 Pr 0.45452 0.45457 0.90899 1.00000
Pr3 Pr 0.81882 0.81905 0.63753 1.00000
Pr4 Pr 0.18112 0.18098 0.36247 1.00000
Nd1 Nd 0.09086 0.09053 0.18171 1.00000
Nd2 Nd 0.27306 0.27325 0.54606 1.00000
Nd3 Nd 0.72686 0.72678 0.45394 1.00000
Nd4 Nd 0.90913 0.90950 0.81829 1.00000
Y1 Y 0.63603 0.63566 0.27200 1.00000
Y2 Y 0.36394 0.36436 0.72800 1.00000
Y3 Y 0.00001 0.00001 1.00000 1.00000
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