La4Pr
Alexandria ALEXAlex-ID: agm045447615 · 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
AB4_2049_spg12
La5Pr La2Pr
2024-12-03 09:06:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045447615).
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 agm045447615
data_agm045447615
_cell_length_a 9.84099
_cell_length_b 9.84099
_cell_length_c 7.41961
_cell_angle_alpha 79.06587
_cell_angle_beta 100.93413
_cell_angle_gamma 148.82342
_cell_volume 364.69507
_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 0.00000 0.00000 0.50000 1.00000
La2 La 0.80006 0.19994 0.40105 1.00000
La3 La 0.19994 0.80006 0.59895 1.00000
La4 La 0.40057 0.59943 0.69875 1.00000
La5 La 0.59943 0.40057 0.30125 1.00000
La6 La 0.59962 0.40038 0.79908 1.00000
La7 La 0.40038 0.59962 0.20092 1.00000
La8 La 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.20008 0.79992 0.10106 1.00000
Pr2 Pr 0.79992 0.20008 0.89894 1.00000
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