Ac2Pr8Y3
Alexandria ALEXAlex-ID: agm005604045 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_185_spg12
PrY2 Ac Pr
2023-06-16 16:30:08.522936
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604045).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005604045
data_agm005604045
_cell_length_a 6.34833
_cell_length_b 9.10272
_cell_length_c 9.10272
_cell_angle_alpha 83.71558
_cell_angle_beta 72.86081
_cell_angle_gamma 72.86081
_cell_volume 480.19050
_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
Ac1 Ac 0.33750 0.30327 0.30327 1.00000
Ac2 Ac 0.66250 0.69673 0.69673 1.00000
Pr1 Pr 0.24238 0.57858 0.57858 1.00000
Pr2 Pr 0.75762 0.42142 0.42142 1.00000
Pr3 Pr 0.93146 0.14164 0.14164 1.00000
Pr4 Pr 0.06854 0.85836 0.85836 1.00000
Pr5 Pr 0.66453 0.58855 0.08665 1.00000
Pr6 Pr 0.66453 0.08665 0.58855 1.00000
Pr7 Pr 0.33547 0.91335 0.41145 1.00000
Pr8 Pr 0.33547 0.41145 0.91335 1.00000
Y1 Y 0.50000 0.00000 0.00000 1.00000
Y2 Y 1.00000 0.25782 0.74218 1.00000
Y3 Y 0.00000 0.74218 0.25782 1.00000
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