Pr3Y3Er5
Alexandria ALEXAlex-ID: agm008385652 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_96_spg1
YEr5 Pr PrY2
2024-05-10 20:27:33.889717
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008385652).
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 agm008385652
data_agm008385652
_cell_length_a 6.18363
_cell_length_b 8.01894
_cell_length_c 8.01690
_cell_angle_alpha 107.47307
_cell_angle_beta 97.37364
_cell_angle_gamma 104.93908
_cell_volume 357.12213
_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 0.09294 0.91040 0.36570 1.00000
Pr2 Pr 0.72455 0.45220 0.08709 1.00000
Pr3 Pr 0.99881 0.54743 0.54605 1.00000
Y1 Y 0.90893 0.17973 0.72633 1.00000
Y2 Y 0.18217 0.27118 0.18295 1.00000
Y3 Y 0.27385 0.63853 0.99995 1.00000
Er1 Er 0.45575 0.36397 0.63736 1.00000
Er2 Er 0.54508 0.72849 0.45710 1.00000
Er3 Er 0.63614 0.08903 0.27016 1.00000
Er4 Er 0.81707 0.81876 0.90765 1.00000
Er5 Er 0.36470 0.00028 0.81966 1.00000
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