La3NdAg8
Alexandria ALEXAlex-ID: agm017564656 · 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
AB3C8_415_spg12
LaAg2 NdAg2
2024-11-15 10:58:06.422124
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017564656).
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 agm017564656
data_agm017564656
_cell_length_a 6.05673
_cell_length_b 6.05580
_cell_length_c 8.71456
_cell_angle_alpha 105.73261
_cell_angle_beta 105.72067
_cell_angle_gamma 88.07303
_cell_volume 295.87847
_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
La1 La 0.75332 0.75403 0.25169 1.00000
La2 La 0.24668 0.24597 0.74831 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.45865 0.79113 0.87649 1.00000
Ag2 Ag 0.96125 0.29521 0.37038 1.00000
Ag3 Ag 0.54135 0.20887 0.12351 1.00000
Ag4 Ag 0.03875 0.70479 0.62962 1.00000
Ag5 Ag 0.70520 0.03854 0.62940 1.00000
Ag6 Ag 0.79162 0.45867 0.87619 1.00000
Ag7 Ag 0.29480 0.96146 0.37060 1.00000
Ag8 Ag 0.20838 0.54133 0.12381 1.00000
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