LaPm5Pr2Nd
Alexandria ALEXAlex-ID: agm005147295 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
La3PrNd4 Pm2Pr Pm2Nd LaPm
2023-01-08 06:56:26.986718
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005147295).
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 agm005147295
data_agm005147295
_cell_length_a 8.91679
_cell_length_b 8.91679
_cell_length_c 10.21315
_cell_angle_alpha 115.88299
_cell_angle_beta 115.88299
_cell_angle_gamma 90.00000
_cell_volume 638.81908
_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 0.25000 0.25000 0.50000 1.00000
La2 La 0.75000 0.75000 0.50000 1.00000
Pm1 Pm 0.93118 0.43118 0.27545 1.00000
Pm2 Pm 0.65574 0.15574 0.72455 1.00000
Pm3 Pm 0.06882 0.56882 0.72455 1.00000
Pm4 Pm 0.15574 0.06882 0.72455 1.00000
Pm5 Pm 0.56882 0.65574 0.72455 1.00000
Pm6 Pm 0.84426 0.93118 0.27545 1.00000
Pm7 Pm 0.43118 0.34426 0.27545 1.00000
Pm8 Pm 0.34426 0.84426 0.27545 1.00000
Pm9 Pm 0.50000 0.50000 0.00000 1.00000
Pm10 Pm 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.11923 0.38077 0.00000 1.00000
Pr2 Pr 0.61923 0.11923 1.00000 1.00000
Pr3 Pr 0.38077 0.88077 0.00000 1.00000
Pr4 Pr 0.88077 0.61923 0.00000 1.00000
Nd1 Nd 0.25000 0.75000 0.50000 1.00000
Nd2 Nd 0.75000 0.25000 0.50000 1.00000
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