Np6Ga8Pt
Alexandria ALEXAlex-ID: agm071587643 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_344_spg148
Np4Ga16Pt3 Np2Ga Np4Ga12Pt
2024-10-06 06:28:55.460788
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071587643).
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}
}
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# CIF generated by HEAS from Alexandria entry agm071587643
data_agm071587643
_cell_length_a 7.09418
_cell_length_b 7.09418
_cell_length_c 7.09418
_cell_angle_alpha 68.46260
_cell_angle_beta 68.46260
_cell_angle_gamma 68.46260
_cell_volume 297.56835
_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 0.14605 0.59097 0.43020 1.00000
Np2 Np 0.43020 0.14605 0.59097 1.00000
Np3 Np 0.59097 0.43020 0.14605 1.00000
Np4 Np 0.85395 0.40903 0.56980 1.00000
Np5 Np 0.56980 0.85395 0.40903 1.00000
Np6 Np 0.40903 0.56980 0.85395 1.00000
Ga1 Ga 0.23981 0.23981 0.23981 1.00000
Ga2 Ga 0.76019 0.76019 0.76019 1.00000
Ga3 Ga 0.89175 0.07296 0.35984 1.00000
Ga4 Ga 0.35984 0.89175 0.07296 1.00000
Ga5 Ga 0.07296 0.35984 0.89175 1.00000
Ga6 Ga 0.10825 0.92704 0.64016 1.00000
Ga7 Ga 0.64016 0.10825 0.92704 1.00000
Ga8 Ga 0.92704 0.64016 0.10825 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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