Pr2Al2Au
Alexandria ALEXAlex-ID: agm003392166 · 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
AB2C2_33_spg12
PrAl2 PrAu
2022-02-19 15:43:28.620483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003392166).
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 agm003392166
data_agm003392166
_cell_length_a 4.64635
_cell_length_b 5.97077
_cell_length_c 10.03824
_cell_angle_alpha 84.69734
_cell_angle_beta 76.61858
_cell_angle_gamma 67.10206
_cell_volume 249.57346
_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
Pr1 Pr 0.68140 0.31347 0.32373 1.00000
Pr2 Pr 0.92092 0.26833 0.88983 1.00000
Pr3 Pr 0.31860 0.68653 0.67627 1.00000
Pr4 Pr 0.07908 0.73167 0.11017 1.00000
Al1 Al 0.08975 0.26765 0.55285 1.00000
Al2 Al 0.62664 0.85892 0.88779 1.00000
Al3 Al 0.91025 0.73235 0.44715 1.00000
Al4 Al 0.37336 0.14108 0.11221 1.00000
Au1 Au 0.62229 0.10466 0.65075 1.00000
Au2 Au 0.37771 0.89534 0.34925 1.00000
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