Pr2Nd2SmY4
Alexandria ALEXAlex-ID: agm037101820 · 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
AB2C2D4_91_spg2
Pr(NdY3)2 Pr2NdY6 Pr3Nd3Y2 PrSm4
2025-03-07 21:40:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037101820).
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 agm037101820
data_agm037101820
_cell_length_a 9.68861
_cell_length_b 9.68861
_cell_length_c 9.74533
_cell_angle_alpha 64.79994
_cell_angle_beta 115.20006
_cell_angle_gamma 158.20512
_cell_volume 306.05691
_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 0.85202 0.14798 0.83534 1.00000
Pr2 Pr 0.14798 0.85202 0.16466 1.00000
Nd1 Nd 0.33445 0.66555 0.49903 1.00000
Nd2 Nd 0.66555 0.33445 0.50097 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.81543 0.18457 0.16502 1.00000
Y2 Y 0.18457 0.81543 0.83498 1.00000
Y3 Y 0.51909 0.48091 0.83175 1.00000
Y4 Y 0.48091 0.51909 0.16825 1.00000
获取直接链接