Ac2NpInPt6
Alexandria ALEXAlex-ID: agm004941594 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1_spg225
NpPt2 AcPt2 Ac3In3Pt8 NpPt
2023-01-11 19:45:47.650429
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004941594).
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 agm004941594
data_agm004941594
_cell_length_a 7.20029
_cell_length_b 7.20028
_cell_length_c 7.20034
_cell_angle_alpha 59.99948
_cell_angle_beta 59.99942
_cell_angle_gamma 89.99841
_cell_volume 263.95874
_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
Ac1 Ac 0.25000 0.75000 0.50000 1.00000
Ac2 Ac 0.75000 0.25000 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25198 0.74802 0.00000 1.00000
Pt2 Pt 0.74801 0.74801 1.00000 1.00000
Pt3 Pt 0.25198 0.25198 0.49603 1.00000
Pt4 Pt 0.74802 0.25198 1.00000 1.00000
Pt5 Pt 0.25199 0.25199 0.00000 1.00000
Pt6 Pt 0.74802 0.74802 0.50397 1.00000
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