Pr2YEr4
Alexandria ALEXAlex-ID: agm017292182 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_937_spg65
YEr5 Pr PrY2
2025-06-05 19:37:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017292182).
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 agm017292182
data_agm017292182
_cell_length_a 3.57653
_cell_length_b 3.57653
_cell_length_c 17.91615
_cell_angle_alpha 84.26343
_cell_angle_beta 95.73657
_cell_angle_gamma 90.01076
_cell_volume 226.87538
_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 0.78823 0.21177 0.57642 1.00000
Pr2 Pr 0.21177 0.78823 0.42358 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.92943 0.07057 0.85961 1.00000
Er2 Er 0.07057 0.92943 0.14039 1.00000
Er3 Er 0.63905 0.36095 0.27752 1.00000
Er4 Er 0.36095 0.63905 0.72248 1.00000
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