Pr3Y8Ho
Alexandria ALEXAlex-ID: agm006010832 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_361_spg8
YHo8 Y5Ho PrY2
2023-09-14 15:58:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010832).
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 agm006010832
data_agm006010832
_cell_length_a 8.04226
_cell_length_b 9.52762
_cell_length_c 9.52760
_cell_angle_alpha 64.78008
_cell_angle_beta 132.44776
_cell_angle_gamma 132.44743
_cell_volume 396.91733
_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 0.58388 0.70860 0.20754 1.00000
Pr2 Pr 0.58388 0.20754 0.70860 1.00000
Pr3 Pr 0.74935 0.37499 0.37499 1.00000
Y1 Y 0.41384 0.04080 0.04080 1.00000
Y2 Y 0.08521 0.70939 0.70939 1.00000
Y3 Y 0.25080 0.87447 0.37478 1.00000
Y4 Y 0.25081 0.37478 0.87447 1.00000
Y5 Y 0.41871 0.54302 0.54302 1.00000
Y6 Y 0.08173 0.20730 0.20730 1.00000
Y7 Y 0.91565 0.54313 0.04109 1.00000
Y8 Y 0.91565 0.04109 0.54313 1.00000
Ho1 Ho 0.75050 0.87489 0.87489 1.00000
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