Ac3SmY8
Alexandria ALEXAlex-ID: agm006010643 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_277_spg71
SmY8 Ac
2023-09-13 03:33:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010643).
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 agm006010643
data_agm006010643
_cell_length_a 8.96177
_cell_length_b 8.96177
_cell_length_c 8.96175
_cell_angle_alpha 98.55608
_cell_angle_beta 96.88466
_cell_angle_gamma 136.99985
_cell_volume 456.64832
_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 0.50000 0.74527 0.24527 1.00000
Ac2 Ac 0.50000 0.25473 0.75473 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.49339 0.25257 0.24082 1.00000
Y2 Y 0.50661 0.74743 0.75918 1.00000
Y3 Y 0.98826 0.74743 0.24082 1.00000
Y4 Y 0.01174 0.25256 0.75918 1.00000
Y5 Y 0.17393 0.24870 0.42265 1.00000
Y6 Y 0.82607 0.24872 0.07477 1.00000
Y7 Y 0.17395 0.75130 0.92523 1.00000
Y8 Y 0.82605 0.75128 0.57735 1.00000
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