Np3AgGe5
Alexandria ALEXAlex-ID: agm072407342 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1181_spg1
Np2Ge Ag NpGe3
2024-09-24 12:06:23.557816
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072407342).
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 agm072407342
data_agm072407342
_cell_length_a 5.22714
_cell_length_b 5.82756
_cell_length_c 5.65745
_cell_angle_alpha 98.71521
_cell_angle_beta 95.42608
_cell_angle_gamma 95.05507
_cell_volume 168.65944
_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 0.72354 0.82104 0.49253 1.00000
Np2 Np 0.36466 0.76042 0.73158 1.00000
Np3 Np 0.05760 0.54556 0.41387 1.00000
Ag1 Ag 0.09651 0.24013 0.83027 1.00000
Ge1 Ge 0.72172 0.10261 0.08279 1.00000
Ge2 Ge 0.20680 0.01341 0.29034 1.00000
Ge3 Ge 0.88997 0.67700 0.94394 1.00000
Ge4 Ge 0.49810 0.47090 0.10903 1.00000
Ge5 Ge 0.55216 0.30022 0.59044 1.00000
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