Ce5SmIn6
Alexandria ALEXAlex-ID: agm006115958 · 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
AB5C6_84_spg12
SmIn CeIn
2023-08-28 22:56:46.366772
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115958).
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 agm006115958
data_agm006115958
_cell_length_a 5.80568
_cell_length_b 6.86419
_cell_length_c 8.95631
_cell_angle_alpha 67.47179
_cell_angle_beta 88.60797
_cell_angle_gamma 89.99847
_cell_volume 329.57026
_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
Ce1 Ce 0.65046 0.17253 0.65499 1.00000
Ce2 Ce 0.34215 0.33371 0.33258 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.65785 0.66629 0.66742 1.00000
Ce5 Ce 0.34954 0.82747 0.34501 1.00000
In1 In 0.84428 0.58632 0.33374 1.00000
In2 In 0.84424 0.07993 0.33373 1.00000
In3 In 0.50001 0.75641 0.00000 1.00000
In4 In 0.49999 0.24359 1.00000 1.00000
In5 In 0.15576 0.92007 0.66627 1.00000
In6 In 0.15572 0.41368 0.66626 1.00000
获取直接链接