PmPrNdY3
Alexandria ALEXAlex-ID: agm061936613 · 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_26_spg2
Pm(PrY3)2 Pr2NdY6 Pm3NdY4 Pr3Nd3Y2
2025-01-22 03:25:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061936613).
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 agm061936613
data_agm061936613
_cell_length_a 9.71705
_cell_length_b 3.65930
_cell_length_c 12.16816
_cell_angle_alpha 90.00000
_cell_angle_beta 110.36575
_cell_angle_gamma 90.00000
_cell_volume 405.62478
_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 0.37260 0.25000 0.87573 1.00000
Pm2 Pm 0.62740 0.75000 0.12427 1.00000
Pr1 Pr 0.87398 0.25000 0.37495 1.00000
Pr2 Pr 0.12602 0.75000 0.62505 1.00000
Nd1 Nd 0.68115 0.75000 0.84666 1.00000
Nd2 Nd 0.31885 0.25000 0.15334 1.00000
Y1 Y 0.93417 0.25000 0.09776 1.00000
Y2 Y 0.56784 0.75000 0.40474 1.00000
Y3 Y 0.18100 0.75000 0.34685 1.00000
Y4 Y 0.06583 0.75000 0.90224 1.00000
Y5 Y 0.81900 0.25000 0.65315 1.00000
Y6 Y 0.43216 0.25000 0.59526 1.00000
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