NpZn(H3Os)2
Alexandria ALEXAlex-ID: agm007458290 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
Zn5HOs ZnH8Os Os NpH3
2024-03-05 20:15:24.735642
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007458290).
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 agm007458290
data_agm007458290
_cell_length_a 6.07135
_cell_length_b 6.07135
_cell_length_c 5.42487
_cell_angle_alpha 78.46599
_cell_angle_beta 78.46599
_cell_angle_gamma 100.32058
_cell_volume 186.90485
_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 0.83844 0.16156 0.75000 1.00000
Np2 Np 0.16156 0.83844 0.25000 1.00000
Zn1 Zn 0.35696 0.64304 0.75000 1.00000
Zn2 Zn 0.64304 0.35696 0.25000 1.00000
H1 H 0.45630 0.95906 0.87841 1.00000
H2 H 0.04094 0.54370 0.62159 1.00000
H3 H 0.54370 0.04094 0.12159 1.00000
H4 H 0.95906 0.45630 0.37841 1.00000
H5 H 0.15830 0.16095 0.92966 1.00000
H6 H 0.83905 0.84170 0.57034 1.00000
H7 H 0.84170 0.83905 0.07034 1.00000
H8 H 0.16095 0.15830 0.42966 1.00000
H9 H 0.53093 0.33326 0.61998 1.00000
H10 H 0.66674 0.46907 0.88002 1.00000
H11 H 0.46907 0.66674 0.38002 1.00000
H12 H 0.33326 0.53093 0.11998 1.00000
Os1 Os 0.08580 0.33117 0.16354 1.00000
Os2 Os 0.66883 0.91420 0.33646 1.00000
Os3 Os 0.91420 0.66883 0.83646 1.00000
Os4 Os 0.33117 0.08580 0.66354 1.00000
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