SmEr7Cd4
Alexandria ALEXAlex-ID: agm003666084 · 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
AB4C7_86_spg12
SmErCd Er2Cd
2022-04-08 18:01:09.402605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666084).
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 agm003666084
data_agm003666084
_cell_length_a 5.67031
_cell_length_b 8.95087
_cell_length_c 7.83452
_cell_angle_alpha 69.92295
_cell_angle_beta 68.78433
_cell_angle_gamma 71.53376
_cell_volume 339.63884
_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 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.79369 0.88024 0.53238 1.00000
Er2 Er 0.20631 0.11976 0.46762 1.00000
Er3 Er 0.07205 0.58544 0.27046 1.00000
Er4 Er 0.92795 0.41456 0.72954 1.00000
Er5 Er 0.26226 0.69329 0.78219 1.00000
Er6 Er 0.50000 0.00000 0.00000 1.00000
Er7 Er 0.73774 0.30671 0.21781 1.00000
Cd1 Cd 0.54178 0.28837 0.62807 1.00000
Cd2 Cd 0.45822 0.71163 0.37193 1.00000
Cd3 Cd 0.68172 0.65944 0.97711 1.00000
Cd4 Cd 0.31828 0.34055 0.02289 1.00000
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