Np2In3Pt2
Alexandria ALEXAlex-ID: agm010098235 · 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
A2B2C3_31_spg12
In2Pt Np NpPt
2024-03-06 07:02:03.229735
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010098235).
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 agm010098235
data_agm010098235
_cell_length_a 6.12759
_cell_length_b 6.12759
_cell_length_c 7.04189
_cell_angle_alpha 82.41311
_cell_angle_beta 82.41311
_cell_angle_gamma 33.79073
_cell_volume 145.64465
_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 0.75833 0.75833 0.61229 1.00000
Np2 Np 0.24167 0.24167 0.38771 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.37220 0.37220 0.93494 1.00000
In3 In 0.62780 0.62780 0.06506 1.00000
Pt1 Pt 0.93656 0.93656 0.21366 1.00000
Pt2 Pt 0.06344 0.06344 0.78634 1.00000
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