Na4Li2Cd3
Alexandria ALEXAlex-ID: agm005671024 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_644_spg15
Na6Cd7 LiCd Na
2023-06-27 09:17:01.059237
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671024).
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 agm005671024
data_agm005671024
_cell_length_a 6.24501
_cell_length_b 9.18677
_cell_length_c 9.18677
_cell_angle_alpha 58.09075
_cell_angle_beta 90.85571
_cell_angle_gamma 90.85571
_cell_volume 447.34792
_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 0.50089 0.86121 0.19716 1.00000
Na2 Na 0.99911 0.80284 0.13879 1.00000
Na3 Na 0.49911 0.13879 0.80284 1.00000
Na4 Na 0.00089 0.19716 0.86121 1.00000
Na5 Na 0.00813 0.16342 0.52633 1.00000
Na6 Na 0.49187 0.47367 0.83658 1.00000
Na7 Na 0.99187 0.83658 0.47367 1.00000
Na8 Na 0.50813 0.52633 0.16342 1.00000
Li1 Li 0.50989 0.16746 0.46910 1.00000
Li2 Li 0.99011 0.53090 0.83254 1.00000
Li3 Li 0.49011 0.83254 0.53090 1.00000
Li4 Li 0.00989 0.46910 0.16746 1.00000
Cd1 Cd 0.75146 0.18854 0.18235 1.00000
Cd2 Cd 0.74854 0.81765 0.81146 1.00000
Cd3 Cd 0.24854 0.81146 0.81765 1.00000
Cd4 Cd 0.25146 0.18235 0.18854 1.00000
Cd5 Cd 0.25000 0.50266 0.49734 1.00000
Cd6 Cd 0.75000 0.49734 0.50266 1.00000
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