Ba4Na5Pt2
Alexandria ALEXAlex-ID: agm005682972 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_662_spg10
Ba2Pt Na
2023-06-22 04:49:38.735841
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682972).
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 agm005682972
data_agm005682972
_cell_length_a 4.27886
_cell_length_b 9.56553
_cell_length_c 11.05256
_cell_angle_alpha 92.68988
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 451.87820
_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
Ba1 Ba 0.50000 0.80595 0.55137 1.00000
Ba2 Ba 0.50000 0.15749 0.82377 1.00000
Ba3 Ba 0.50000 0.19405 0.44863 1.00000
Ba4 Ba 0.50000 0.84251 0.17623 1.00000
Na1 Na 0.00000 0.54167 0.32937 1.00000
Na2 Na 0.00000 0.17699 0.15110 1.00000
Na3 Na 0.00000 0.50000 0.00000 1.00000
Na4 Na 0.00000 0.82301 0.84890 1.00000
Na5 Na 0.00000 0.45833 0.67063 1.00000
Pt1 Pt 0.00000 0.04625 0.63236 1.00000
Pt2 Pt 0.00000 0.95375 0.36764 1.00000
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