Hf2Np5Pb2
Alexandria ALEXAlex-ID: agm009806069 · 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
A2B2C5_485_spg2
Pb Np Hf2Pb
2024-04-17 17:46:59.543192
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009806069).
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 agm009806069
data_agm009806069
_cell_length_a 3.62766
_cell_length_b 5.56398
_cell_length_c 10.80859
_cell_angle_alpha 96.83955
_cell_angle_beta 99.66547
_cell_angle_gamma 109.01084
_cell_volume 199.77015
_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
Hf1 Hf 0.55530 0.88992 0.22046 1.00000
Hf2 Hf 0.44470 0.11008 0.77954 1.00000
Np1 Np 0.24652 0.55769 0.93549 1.00000
Np2 Np 0.75348 0.44231 0.06451 1.00000
Np3 Np 0.15974 0.85523 0.46413 1.00000
Np4 Np 0.84026 0.14477 0.53587 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.33716 0.36077 0.31383 1.00000
Pb2 Pb 0.66284 0.63923 0.68617 1.00000
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