Sm4Y5Ho3
Alexandria ALEXAlex-ID: agm005694464 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
Sm3(Y2Ho)2 Sm3(YHo2)2
2023-06-29 14:28:42.789800
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694464).
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 agm005694464
data_agm005694464
_cell_length_a 7.15661
_cell_length_b 11.31668
_cell_length_c 12.89634
_cell_angle_alpha 151.28134
_cell_angle_beta 56.28205
_cell_angle_gamma 129.30489
_cell_volume 388.34314
_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
Sm1 Sm 0.91784 0.83407 0.66593 1.00000
Sm2 Sm 0.83411 0.66689 0.83275 1.00000
Sm3 Sm 0.16589 0.33311 0.16725 1.00000
Sm4 Sm 0.08216 0.16593 0.33407 1.00000
Y1 Y 0.33266 0.66463 0.83201 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.75143 0.49899 0.99894 1.00000
Y4 Y 0.24857 0.50101 0.00106 1.00000
Y5 Y 0.66734 0.33537 0.16799 1.00000
Ho1 Ho 0.58053 0.16437 0.33282 1.00000
Ho2 Ho 0.00000 0.00000 0.50000 1.00000
Ho3 Ho 0.41947 0.83563 0.66718 1.00000
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