La4Pm3Pr5
Alexandria ALEXAlex-ID: agm003383166 · 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
A3B4C5_46_spg12
LaPm La3Pr5 Pm2Pr
2022-02-12 05:06:38.941025
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003383166).
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 agm003383166
data_agm003383166
_cell_length_a 6.16679
_cell_length_b 8.88577
_cell_length_c 9.99997
_cell_angle_alpha 106.08074
_cell_angle_beta 72.04075
_cell_angle_gamma 69.69585
_cell_volume 441.27962
_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
La1 La 0.85585 0.22753 0.06077 1.00000
La2 La 0.16383 0.05029 0.62206 1.00000
La3 La 0.83617 0.94971 0.37794 1.00000
La4 La 0.14415 0.77247 0.93923 1.00000
Pm1 Pm 0.51579 0.69278 0.27565 1.00000
Pm2 Pm 0.00000 0.50000 0.50000 1.00000
Pm3 Pm 0.48421 0.30722 0.72435 1.00000
Pr1 Pr 0.62613 0.94801 0.79972 1.00000
Pr2 Pr 0.50000 0.50000 0.50000 1.00000
Pr3 Pr 0.21880 0.45264 0.10976 1.00000
Pr4 Pr 0.78120 0.54736 0.89024 1.00000
Pr5 Pr 0.37387 0.05199 0.20028 1.00000
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