Nd4Hg2Pb
Alexandria ALEXAlex-ID: agm006019474 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1996_spg12
Nd2Hg Nd5Pb3 NdHg
2023-10-13 21:58:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019474).
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 agm006019474
data_agm006019474
_cell_length_a 5.39089
_cell_length_b 5.39089
_cell_length_c 9.27906
_cell_angle_alpha 73.11288
_cell_angle_beta 73.11289
_cell_angle_gamma 59.99999
_cell_volume 220.00782
_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
Nd1 Nd 0.87049 0.87049 0.38852 1.00000
Nd2 Nd 0.12951 0.12951 0.61148 1.00000
Nd3 Nd 0.61751 0.61751 0.14747 1.00000
Nd4 Nd 0.38249 0.38249 0.85253 1.00000
Hg1 Hg 0.75035 0.75035 0.74894 1.00000
Hg2 Hg 0.24965 0.24965 0.25106 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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