Np3(Ge2Os)2
Alexandria ALEXAlex-ID: agm005646643 · 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
A2B3C4_139_spg2
NpGe3 Np2Ge Np4Ge6Os7
2023-06-27 02:44:56.529722
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646643).
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 agm005646643
data_agm005646643
_cell_length_a 4.58191
_cell_length_b 5.62537
_cell_length_c 8.57790
_cell_angle_alpha 120.76193
_cell_angle_beta 90.00000
_cell_angle_gamma 114.03247
_cell_volume 167.29439
_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 0.64223 0.28445 0.66563 1.00000
Np2 Np 0.00000 0.00000 0.00000 1.00000
Np3 Np 0.35777 0.71555 0.33437 1.00000
Ge1 Ge 0.69560 0.39119 0.03500 1.00000
Ge2 Ge 0.30440 0.60881 0.96500 1.00000
Ge3 Ge 0.89312 0.78623 0.58386 1.00000
Ge4 Ge 0.10688 0.21377 0.41614 1.00000
Os1 Os 0.61566 0.23132 0.27188 1.00000
Os2 Os 0.38434 0.76868 0.72812 1.00000
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