Na2(LiCd)5
Alexandria ALEXAlex-ID: agm005665896 · 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
A2B5C5_18_spg12
LiCd Na
2023-06-19 02:49:06.873610
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665896).
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 agm005665896
data_agm005665896
_cell_length_a 4.51355
_cell_length_b 9.26669
_cell_length_c 6.82704
_cell_angle_alpha 99.06207
_cell_angle_beta 70.69699
_cell_angle_gamma 75.90465
_cell_volume 252.38923
_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 0.33746 0.49654 0.82854 1.00000
Na2 Na 0.66254 0.50346 0.17146 1.00000
Li1 Li 0.68236 0.23239 0.40288 1.00000
Li2 Li 0.01722 0.22493 0.74064 1.00000
Li3 Li 0.98278 0.77507 0.25936 1.00000
Li4 Li 0.31764 0.76761 0.59712 1.00000
Li5 Li 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.66376 0.76506 0.90741 1.00000
Cd3 Cd 0.33476 0.99226 0.33822 1.00000
Cd4 Cd 0.66524 0.00774 0.66178 1.00000
Cd5 Cd 0.33624 0.23494 0.09259 1.00000
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