Nd6Ge2Pb
Alexandria ALEXAlex-ID: agm005694645 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_798_spg71
Nd5Ge2Pb Nd
2023-07-07 06:35:08.623056
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694645).
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 agm005694645
data_agm005694645
_cell_length_a 8.90497
_cell_length_b 8.90497
_cell_length_c 8.90497
_cell_angle_alpha 105.42926
_cell_angle_beta 110.24484
_cell_angle_gamma 112.82506
_cell_volume 541.28843
_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 0.53511 0.72223 0.81288 1.00000
Nd2 Nd 0.46489 0.27777 0.18712 1.00000
Nd3 Nd 0.09065 0.27777 0.81288 1.00000
Nd4 Nd 0.90935 0.72223 0.18712 1.00000
Nd5 Nd 0.79394 0.75810 0.55204 1.00000
Nd6 Nd 0.20606 0.24190 0.44796 1.00000
Nd7 Nd 0.20606 0.75810 0.96416 1.00000
Nd8 Nd 0.79394 0.24190 0.03584 1.00000
Nd9 Nd 0.70586 0.38429 0.67842 1.00000
Nd10 Nd 0.29414 0.61571 0.32158 1.00000
Nd11 Nd 0.29414 0.97256 0.67842 1.00000
Nd12 Nd 0.70586 0.02744 0.32158 1.00000
Ge1 Ge 0.50000 0.38235 0.88235 1.00000
Ge2 Ge 0.50000 0.61765 0.11765 1.00000
Ge3 Ge 0.63171 0.00000 0.63171 1.00000
Ge4 Ge 0.36829 1.00000 0.36829 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
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