Sm3Y5Ho4
Alexandria ALEXAlex-ID: agm005694474 · 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 Y5Ho SmHo5
2023-06-29 14:25:52.031286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694474).
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 agm005694474
data_agm005694474
_cell_length_a 7.14240
_cell_length_b 11.28971
_cell_length_c 12.86480
_cell_angle_alpha 151.29521
_cell_angle_beta 56.34650
_cell_angle_gamma 129.28748
_cell_volume 385.62614
_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 0.58537 0.16771 0.33412 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.41463 0.83229 0.66588 1.00000
Y1 Y 0.33412 0.66656 0.83253 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74917 0.50080 0.00078 1.00000
Y4 Y 0.25083 0.49920 0.99922 1.00000
Y5 Y 0.66588 0.33344 0.16747 1.00000
Ho1 Ho 0.91788 0.83395 0.66730 1.00000
Ho2 Ho 0.83519 0.66882 0.83385 1.00000
Ho3 Ho 0.16481 0.33118 0.16615 1.00000
Ho4 Ho 0.08212 0.16605 0.33270 1.00000
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