La3PrZn
Alexandria ALEXAlex-ID: agm005773162 · 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
ABC3_1382_spg12
La3Pr5 La4Zn3 La4Zn
2023-07-08 04:35:08.234260
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773162).
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 agm005773162
data_agm005773162
_cell_length_a 3.80166
_cell_length_b 8.83207
_cell_length_c 10.18821
_cell_angle_alpha 102.76344
_cell_angle_beta 100.73859
_cell_angle_gamma 90.00464
_cell_volume 327.48597
_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 0.61222 0.93025 0.48375 1.00000
La2 La 0.21817 0.29440 0.69160 1.00000
La3 La 0.41608 0.41263 0.09202 1.00000
La4 La 0.22919 0.73213 0.71703 1.00000
La5 La 0.41403 0.81191 0.08329 1.00000
La6 La 0.60172 0.49255 0.45834 1.00000
Pr1 Pr 0.82100 0.07640 0.90257 1.00000
Pr2 Pr 0.00946 0.14812 0.27280 1.00000
Zn1 Zn 0.01814 0.68092 0.29303 1.00000
Zn2 Zn 0.81248 0.54383 0.88228 1.00000
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