Sm7YTm3
Alexandria ALEXAlex-ID: agm005962336 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_250_spg10
Sm2Y Sm SmTm2
2023-08-13 00:49:38.701998
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962336).
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 agm005962336
data_agm005962336
_cell_length_a 5.59649
_cell_length_b 9.92299
_cell_length_c 9.00768
_cell_angle_alpha 105.76931
_cell_angle_beta 128.41150
_cell_angle_gamma 89.97480
_cell_volume 367.68625
_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 0.91899 0.83005 0.91909 1.00000
Sm2 Sm 0.85288 0.70802 0.35292 1.00000
Sm3 Sm 0.67730 0.35871 0.17722 1.00000
Sm4 Sm 0.32270 0.64129 0.82278 1.00000
Sm5 Sm 0.50000 0.00000 0.50000 1.00000
Sm6 Sm 0.14712 0.29198 0.64708 1.00000
Sm7 Sm 0.08101 0.16995 0.08091 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.27893 0.99848 0.77894 1.00000
Tm2 Tm 0.00000 0.50000 0.00000 1.00000
Tm3 Tm 0.72107 0.00152 0.22106 1.00000
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