Nb3(AsPt)4
Alexandria ALEXAlex-ID: agm009761606 · 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
A3B4C4_56_spg71
NbPt2 NbAs As2Pt
2024-03-22 07:39:49.620930
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009761606).
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 agm009761606
data_agm009761606
_cell_length_a 14.50229
_cell_length_b 14.50229
_cell_length_c 4.63575
_cell_angle_alpha 77.53655
_cell_angle_beta 77.53655
_cell_angle_gamma 11.98688
_cell_volume 197.66509
_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
Nb1 Nb 0.87314 0.87314 0.48468 1.00000
Nb2 Nb 0.12686 0.12686 0.51532 1.00000
Nb3 Nb 0.00000 0.00000 0.00000 1.00000
As1 As 0.32229 0.32229 0.93086 1.00000
As2 As 0.45280 0.45280 0.41348 1.00000
As3 As 0.54720 0.54720 0.58652 1.00000
As4 As 0.67771 0.67771 0.06914 1.00000
Pt1 Pt 0.29137 0.29137 0.46258 1.00000
Pt2 Pt 0.58794 0.58794 0.05946 1.00000
Pt3 Pt 0.41206 0.41206 0.94054 1.00000
Pt4 Pt 0.70863 0.70863 0.53742 1.00000
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