Np3Ge4Pt7
Alexandria ALEXAlex-ID: agm005693129 · 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
A3B4C7_35_spg12
NpGePt2 GePt
2023-06-29 19:11:40.874139
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693129).
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 agm005693129
data_agm005693129
_cell_length_a 4.09294
_cell_length_b 8.16153
_cell_length_c 8.48384
_cell_angle_alpha 71.65608
_cell_angle_beta 76.04243
_cell_angle_gamma 75.47889
_cell_volume 256.31157
_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 0.32654 0.17720 0.16969 1.00000
Np2 Np 0.67346 0.82280 0.83031 1.00000
Np3 Np 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.66389 0.43502 0.23719 1.00000
Ge2 Ge 0.33611 0.56498 0.76281 1.00000
Ge3 Ge 0.88949 0.89183 0.32919 1.00000
Ge4 Ge 0.11051 0.10817 0.67081 1.00000
Pt1 Pt 0.30792 0.84949 0.53468 1.00000
Pt2 Pt 0.48925 0.23637 0.78514 1.00000
Pt3 Pt 0.83252 0.40776 0.92720 1.00000
Pt4 Pt 0.69208 0.15051 0.46532 1.00000
Pt5 Pt 0.16748 0.59224 0.07280 1.00000
Pt6 Pt 1.00000 0.00000 0.00000 1.00000
Pt7 Pt 0.51075 0.76363 0.21486 1.00000
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