Pr3NdMg
Alexandria ALEXAlex-ID: agm005756768 · 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
ABC3_8156_spg2
PrNdMg2 PrNd2 Pr
2023-07-07 19:48:39.316434
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756768).
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 agm005756768
data_agm005756768
_cell_length_a 3.81139
_cell_length_b 9.09339
_cell_length_c 10.20026
_cell_angle_alpha 103.61287
_cell_angle_beta 100.75776
_cell_angle_gamma 90.00856
_cell_volume 337.19538
_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 0.61750 0.94029 0.49260 1.00000
Pr2 Pr 0.21298 0.28413 0.68273 1.00000
Pr3 Pr 0.41759 0.38391 0.09255 1.00000
Pr4 Pr 0.22749 0.73743 0.71358 1.00000
Pr5 Pr 0.41286 0.84072 0.08271 1.00000
Pr6 Pr 0.60297 0.48726 0.46168 1.00000
Nd1 Nd 0.81622 0.07009 0.88975 1.00000
Nd2 Nd 0.01434 0.15449 0.28577 1.00000
Mg1 Mg 0.01130 0.67395 0.27926 1.00000
Mg2 Mg 0.81925 0.55088 0.89610 1.00000
获取直接链接