Np(H3Os)2
Alexandria ALEXAlex-ID: agm006608962 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_5036_spg12
NpH5Os H2 Os
2024-02-28 15:50:24.037534
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006608962).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006608962
data_agm006608962
_cell_length_a 3.97736
_cell_length_b 4.35346
_cell_length_c 6.01088
_cell_angle_alpha 81.15515
_cell_angle_beta 120.85107
_cell_angle_gamma 116.04358
_cell_volume 79.93546
_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 0.50000 0.50000 0.50000 1.00000
H1 H 0.33522 0.67170 0.06544 1.00000
H2 H 0.66478 0.32830 0.93456 1.00000
H3 H 0.61400 0.90842 0.79788 1.00000
H4 H 0.95214 0.93211 0.35586 1.00000
H5 H 0.38600 0.09158 0.20212 1.00000
H6 H 0.04786 0.06789 0.64414 1.00000
Os1 Os 0.97305 0.70865 0.16103 1.00000
Os2 Os 0.02695 0.29135 0.83897 1.00000
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