NaGa2Pt
Alexandria ALEXAlex-ID: agm005597652 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_547_spg62
NaGa2Pt
2023-07-14 18:08:23.658650
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005597652).
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 agm005597652
data_agm005597652
_cell_length_a 5.57711
_cell_length_b 7.09127
_cell_length_c 15.26176
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 603.58383
_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 0.47047 0.25000 0.13883 1.00000
Na2 Na 0.97047 0.75000 0.36117 1.00000
Na3 Na 0.52953 0.75000 0.86117 1.00000
Na4 Na 0.02953 0.25000 0.63883 1.00000
Na5 Na 0.74412 0.25000 0.39354 1.00000
Na6 Na 0.24412 0.75000 0.10646 1.00000
Na7 Na 0.25588 0.75000 0.60646 1.00000
Na8 Na 0.75588 0.25000 0.89354 1.00000
Ga1 Ga 0.95783 0.05055 0.20992 1.00000
Ga2 Ga 0.45783 0.94945 0.29008 1.00000
Ga3 Ga 0.04217 0.55055 0.79008 1.00000
Ga4 Ga 0.54217 0.44945 0.70992 1.00000
Ga5 Ga 0.04217 0.94945 0.79008 1.00000
Ga6 Ga 0.54217 0.05055 0.70992 1.00000
Ga7 Ga 0.95783 0.44945 0.20992 1.00000
Ga8 Ga 0.45783 0.55055 0.29008 1.00000
Ga9 Ga 0.73775 0.55355 0.03775 1.00000
Ga10 Ga 0.23775 0.44645 0.46225 1.00000
Ga11 Ga 0.26225 0.05355 0.96225 1.00000
Ga12 Ga 0.76225 0.94645 0.53775 1.00000
Ga13 Ga 0.26225 0.44645 0.96225 1.00000
Ga14 Ga 0.76225 0.55355 0.53775 1.00000
Ga15 Ga 0.73775 0.94645 0.03775 1.00000
Ga16 Ga 0.23775 0.05355 0.46225 1.00000
Pt1 Pt 0.21925 0.25000 0.31293 1.00000
Pt2 Pt 0.71925 0.75000 0.18707 1.00000
Pt3 Pt 0.78075 0.75000 0.68707 1.00000
Pt4 Pt 0.28075 0.25000 0.81293 1.00000
Pt5 Pt 0.98546 0.25000 0.06856 1.00000
Pt6 Pt 0.48546 0.75000 0.43144 1.00000
Pt7 Pt 0.01454 0.75000 0.93144 1.00000
Pt8 Pt 0.51454 0.25000 0.56856 1.00000
