Pr5Ge5Au2
Alexandria ALEXAlex-ID: agm005665156 · 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
A2B5C5_26_spg12
PrGe PrGeAu
2023-06-18 23:55:39.469051
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665156).
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 agm005665156
data_agm005665156
_cell_length_a 4.41813
_cell_length_b 8.12040
_cell_length_c 9.05592
_cell_angle_alpha 88.89337
_cell_angle_beta 75.88104
_cell_angle_gamma 74.21437
_cell_volume 302.81575
_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 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.68768 0.70674 0.91790 1.00000
Pr3 Pr 0.37092 0.93352 0.32464 1.00000
Pr4 Pr 0.62908 0.06648 0.67536 1.00000
Pr5 Pr 0.31232 0.29326 0.08210 1.00000
Ge1 Ge 0.71048 0.22222 0.35683 1.00000
Ge2 Ge 0.93717 0.29963 0.82604 1.00000
Ge3 Ge 0.06283 0.70037 0.17396 1.00000
Ge4 Ge 0.28952 0.77778 0.64317 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.38942 0.46779 0.75336 1.00000
Au2 Au 0.61058 0.53221 0.24664 1.00000
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