NaPr2As4Pt3
Alexandria ALEXAlex-ID: agm004518971 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D4_52_spg115
PrAsPt Na3(AsPt)2 PrAs As2Pt
2022-06-21 10:21:00.654663
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004518971).
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 agm004518971
data_agm004518971
_cell_length_a 4.48095
_cell_length_b 4.48095
_cell_length_c 10.29241
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 206.66057
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.50000 0.00000 0.23966 1.00000
Pr2 Pr 0.00000 0.50000 0.76034 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
As3 As 0.50000 0.00000 0.64265 1.00000
As4 As 0.00000 0.50000 0.35735 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Pt2 Pt 0.50000 0.00000 0.88551 1.00000
Pt3 Pt 0.00000 0.50000 0.11449 1.00000
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