Pr(Y2Ho5)2
Alexandria ALEXAlex-ID: agm005997823 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_63_spg87
YHo8 Y5Ho PrY2
2023-08-08 22:13:28.483457
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997823).
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 agm005997823
data_agm005997823
_cell_length_a 10.82420
_cell_length_b 8.77657
_cell_length_c 8.77657
_cell_angle_alpha 67.65012
_cell_angle_beta 51.92784
_cell_angle_gamma 51.92784
_cell_volume 516.71779
_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 0.00000 0.00000 1.00000
Y1 Y 0.55580 0.65220 0.23621 1.00000
Y2 Y 0.79201 0.76379 0.65220 1.00000
Y3 Y 0.20799 0.23621 0.34780 1.00000
Y4 Y 0.44420 0.34780 0.76379 1.00000
Ho1 Ho 0.25000 0.50000 0.50000 1.00000
Ho2 Ho 0.70944 0.34120 0.90065 1.00000
Ho3 Ho 0.94936 0.09935 0.34120 1.00000
Ho4 Ho 0.38991 0.90065 0.65880 1.00000
Ho5 Ho 0.95129 0.65880 0.09935 1.00000
Ho6 Ho 0.29056 0.65880 0.09935 1.00000
Ho7 Ho 0.75000 0.50000 0.50000 1.00000
Ho8 Ho 0.04871 0.34120 0.90065 1.00000
Ho9 Ho 0.61009 0.09935 0.34120 1.00000
Ho10 Ho 0.05064 0.90065 0.65880 1.00000
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