Nb2Co3Pt4
Alexandria ALEXAlex-ID: agm005653786 · 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
A2B3C4_298_spg12
NbPt2 Co
2023-06-26 21:38:01.417353
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653786).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005653786
data_agm005653786
_cell_length_a 3.89759
_cell_length_b 4.79995
_cell_length_c 8.03508
_cell_angle_alpha 73.92534
_cell_angle_beta 75.96375
_cell_angle_gamma 66.04598
_cell_volume 130.54670
_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 0.32586 0.11385 0.23443 1.00000
Nb2 Nb 0.67414 0.88615 0.76557 1.00000
Co1 Co 0.33946 0.77117 0.54992 1.00000
Co2 Co 0.00000 0.00000 0.00000 1.00000
Co3 Co 0.66054 0.22883 0.45008 1.00000
Pt1 Pt 0.66333 0.56244 0.11090 1.00000
Pt2 Pt 0.01164 0.31351 0.66321 1.00000
Pt3 Pt 0.98836 0.68649 0.33679 1.00000
Pt4 Pt 0.33667 0.43756 0.88910 1.00000
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