Pm2Pr7Nd2
Alexandria ALEXAlex-ID: agm003319600 · 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
A2B2C7_264_spg12
PrNd2 Pr Pm2Nd
2022-01-22 12:51:40.363535
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003319600).
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 agm003319600
data_agm003319600
_cell_length_a 8.51725
_cell_length_b 7.04734
_cell_length_c 7.04734
_cell_angle_alpha 103.76033
_cell_angle_beta 81.07811
_cell_angle_gamma 81.07811
_cell_volume 397.69091
_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 0.50000 0.28856 0.71144 1.00000
Pm2 Pm 0.50000 0.71144 0.28856 1.00000
Pr1 Pr 0.17029 0.09129 0.50620 1.00000
Pr2 Pr 0.82971 0.49380 0.90871 1.00000
Pr3 Pr 0.82971 0.90871 0.49380 1.00000
Pr4 Pr 0.17029 0.50620 0.09129 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Pr6 Pr 0.46971 0.80945 0.80945 1.00000
Pr7 Pr 0.53029 0.19055 0.19055 1.00000
Nd1 Nd 0.82199 0.41919 0.41919 1.00000
Nd2 Nd 0.17801 0.58081 0.58081 1.00000
获取直接链接