Pr2Al3InAg4
Alexandria ALEXAlex-ID: agm004530697 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D4_7_spg115
Pr2(AlAg)5 Pr3Al7Ag2 PrInAg2 PrIn3
2022-06-21 00:57:21.189700
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004530697).
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 agm004530697
data_agm004530697
_cell_length_a 4.47016
_cell_length_b 4.47016
_cell_length_c 11.01711
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 220.14777
_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 0.50000 0.00000 0.24194 1.00000
Pr2 Pr 0.00000 0.50000 0.75806 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.50000 0.00000 0.87327 1.00000
Al3 Al 0.00000 0.50000 0.12673 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.50000 0.00000 0.64441 1.00000
Ag4 Ag 0.00000 0.50000 0.35559 1.00000
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