Na2Cd5In2
Alexandria ALEXAlex-ID: agm003313645 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_381_spg123
CdIn6 Na2Cd11 NaCd2
2022-01-22 21:08:24.256221
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313645).
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 agm003313645
data_agm003313645
_cell_length_a 6.24194
_cell_length_b 6.44893
_cell_length_c 12.47709
_cell_angle_alpha 104.97698
_cell_angle_beta 104.48555
_cell_angle_gamma 90.00000
_cell_volume 468.64213
_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
Na1 Na 1.00000 0.03830 1.00000 1.00000
Na2 Na 0.50000 0.53830 1.00000 1.00000
Na3 Na 0.24921 0.28730 0.50000 1.00000
Na4 Na 0.75079 0.78730 0.50000 1.00000
Cd1 Cd 0.10094 0.63786 0.70166 1.00000
Cd2 Cd 0.89906 0.93621 0.29834 1.00000
Cd3 Cd 0.10072 0.13786 0.70166 1.00000
Cd4 Cd 0.89928 0.43621 0.29834 1.00000
Cd5 Cd 0.39960 0.93655 0.29899 1.00000
Cd6 Cd 0.60040 0.63756 0.70101 1.00000
Cd7 Cd 0.39940 0.43655 0.29899 1.00000
Cd8 Cd 0.60060 0.13756 0.70101 1.00000
Cd9 Cd 0.25046 0.78711 0.50000 1.00000
Cd10 Cd 0.74954 0.28711 0.50000 1.00000
In1 In 0.06311 0.59993 0.12475 1.00000
In2 In 0.93689 0.47518 0.87525 1.00000
In3 In 0.56164 0.09993 0.12475 1.00000
In4 In 0.43835 0.97518 0.87525 1.00000
获取直接链接