Np8HgRu6
Alexandria ALEXAlex-ID: agm072192173 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_96_spg148
Np2Ru Hg NpRu3
2024-10-07 10:57:24.966688
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072192173).
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 agm072192173
data_agm072192173
_cell_length_a 6.80478
_cell_length_b 6.80548
_cell_length_c 6.80544
_cell_angle_alpha 72.68900
_cell_angle_beta 72.70187
_cell_angle_gamma 72.69530
_cell_volume 279.62256
_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
Np1 Np 0.76077 0.81616 0.51486 1.00000
Np2 Np 0.22893 0.28453 0.98299 1.00000
Np3 Np 0.32942 0.58999 0.69553 1.00000
Np4 Np 0.94164 0.38491 0.28852 1.00000
Np5 Np 0.53441 0.99705 0.08358 1.00000
Np6 Np 0.66022 0.51069 0.80222 1.00000
Np7 Np 0.04824 0.71571 0.20940 1.00000
Np8 Np 0.45527 0.10369 0.41436 1.00000
Hg1 Hg 0.49504 0.55031 0.24886 1.00000
Ru1 Ru 0.72073 0.17430 0.65104 1.00000
Ru2 Ru 0.89696 0.77628 0.87305 1.00000
Ru3 Ru 0.11883 0.95238 0.47501 1.00000
Ru4 Ru 0.26890 0.92636 0.84691 1.00000
Ru5 Ru 0.09269 0.32434 0.62491 1.00000
Ru6 Ru 0.87081 0.14824 0.02301 1.00000
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