NdAgPb
Alexandria ALEXAlex-ID: agm005274036 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_3_spg194
NdAgPb
2023-05-18 04:59:00.471570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274036).
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 agm005274036
data_agm005274036
_cell_length_a 4.96865
_cell_length_b 4.96865
_cell_length_c 7.83813
_cell_angle_alpha 89.98049
_cell_angle_beta 90.01951
_cell_angle_gamma 119.96877
_cell_volume 167.63145
_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
Pb1 Pb 0.33321 0.66679 0.42307 1.00000
Pb2 Pb 0.66679 0.33321 0.57693 1.00000
Nd1 Nd 0.00029 0.99971 0.78284 1.00000
Nd2 Nd 0.99971 0.00029 0.21716 1.00000
Ag1 Ag 0.66670 0.33330 0.99634 1.00000
Ag2 Ag 0.33330 0.66670 0.00366 1.00000
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