Ac2Sm8Y
Alexandria ALEXAlex-ID: agm003522016 · 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
AB2C8_336_spg12
Sm2Y Ac Sm
2022-03-18 15:35:17.239181
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003522016).
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
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# CIF generated by HEAS from Alexandria entry agm003522016
data_agm003522016
_cell_length_a 5.74001
_cell_length_b 10.55755
_cell_length_c 10.55755
_cell_angle_alpha 39.56116
_cell_angle_beta 93.03248
_cell_angle_gamma 93.03248
_cell_volume 406.83984
_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 0.74109 0.28137 0.28137 1.00000
Ac2 Ac 0.25891 0.71863 0.71863 1.00000
Sm1 Sm 0.26793 0.14190 0.61320 1.00000
Sm2 Sm 0.26793 0.61320 0.14190 1.00000
Sm3 Sm 0.73207 0.85810 0.38680 1.00000
Sm4 Sm 0.23413 0.54394 0.54394 1.00000
Sm5 Sm 0.73207 0.38680 0.85810 1.00000
Sm6 Sm 0.22390 0.17663 0.17663 1.00000
Sm7 Sm 0.77610 0.82337 0.82337 1.00000
Sm8 Sm 0.76587 0.45606 0.45606 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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