Pr7SmPb4
Alexandria ALEXAlex-ID: agm003669321 · 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
AB4C7_87_spg12
Pr3Sm2Pb3 Pr Pr5Pb3
2022-04-20 13:54:19.285778
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669321).
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 agm003669321
data_agm003669321
_cell_length_a 6.02948
_cell_length_b 9.86961
_cell_length_c 7.84519
_cell_angle_alpha 79.08732
_cell_angle_beta 67.40102
_cell_angle_gamma 72.21434
_cell_volume 409.03422
_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 0.79113 0.89096 0.52678 1.00000
Pr2 Pr 0.20887 0.10904 0.47322 1.00000
Pr3 Pr 0.05267 0.63113 0.26353 1.00000
Pr4 Pr 0.94733 0.36887 0.73647 1.00000
Pr5 Pr 0.31273 0.60793 0.76661 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.68727 0.39207 0.23339 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.56730 0.23613 0.62927 1.00000
Pb2 Pb 0.43270 0.76387 0.37073 1.00000
Pb3 Pb 0.70255 0.67238 0.92252 1.00000
Pb4 Pb 0.29745 0.32762 0.07748 1.00000
获取直接链接