NpGa3Pt2
Alexandria ALEXAlex-ID: agm005669571 · 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
AB2C3_326_spg12
Np4Ga20Pt11 NpGaPt GaPt
2023-08-18 02:34:13.181649
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669571).
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 agm005669571
data_agm005669571
_cell_length_a 4.19927
_cell_length_b 8.57292
_cell_length_c 10.06245
_cell_angle_alpha 107.30850
_cell_angle_beta 90.00000
_cell_angle_gamma 104.17678
_cell_volume 334.27083
_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 0.15958 0.31917 0.70766 1.00000
Np2 Np 0.84042 0.68083 0.29234 1.00000
Np3 Np 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.03859 0.07718 0.36197 1.00000
Ga2 Ga 0.96141 0.92282 0.63803 1.00000
Ga3 Ga 0.21345 0.42689 0.38459 1.00000
Ga4 Ga 0.78655 0.57311 0.61541 1.00000
Ga5 Ga 0.63035 0.26070 0.19392 1.00000
Ga6 Ga 0.36965 0.73930 0.80608 1.00000
Ga7 Ga 0.50000 0.00000 0.50000 1.00000
Ga8 Ga 0.33216 0.66431 0.04568 1.00000
Ga9 Ga 0.66784 0.33569 0.95432 1.00000
Pt1 Pt 0.19778 0.39556 0.12024 1.00000
Pt2 Pt 0.80222 0.60444 0.87976 1.00000
Pt3 Pt 0.47959 0.95918 0.21311 1.00000
Pt4 Pt 0.52041 0.04082 0.78689 1.00000
Pt5 Pt 0.35956 0.71913 0.54644 1.00000
Pt6 Pt 0.64044 0.28087 0.45356 1.00000
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