La2Pm2Pr3
Alexandria ALEXAlex-ID: agm009769912 · 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
A2B2C3_206_spg12
LaPm La3Pr5 Pm2Pr
2024-05-04 09:20:56.721476
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009769912).
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
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# CIF generated by HEAS from Alexandria entry agm009769912
data_agm009769912
_cell_length_a 6.39705
_cell_length_b 6.39705
_cell_length_c 11.15557
_cell_angle_alpha 84.40882
_cell_angle_beta 84.40882
_cell_angle_gamma 33.70417
_cell_volume 252.00376
_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 0.42791 0.42791 0.28423 1.00000
La2 La 0.57209 0.57209 0.71577 1.00000
Pm1 Pm 0.71457 0.71457 0.14149 1.00000
Pm2 Pm 0.28543 0.28543 0.85851 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.85754 0.85754 0.57306 1.00000
Pr3 Pr 0.14246 0.14246 0.42694 1.00000
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