Na3In6Ga5
Alexandria ALEXAlex-ID: agm005709652 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_16_spg59
NaIn2 In NaGa4
2023-06-30 12:59:55.563780
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709652).
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 agm005709652
data_agm005709652
_cell_length_a 4.71582
_cell_length_b 10.38335
_cell_length_c 14.18463
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 694.56471
_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 0.00000 0.25290 0.70763 1.00000
Na2 Na 0.50000 0.74710 0.20763 1.00000
Na3 Na 0.50000 0.74710 0.79237 1.00000
Na4 Na 0.00000 0.25548 0.00000 1.00000
Na5 Na 0.50000 0.74452 0.50000 1.00000
Na6 Na 0.00000 0.25290 0.29237 1.00000
In1 In 0.00000 0.97162 0.83946 1.00000
In2 In 0.50000 0.02838 0.66054 1.00000
In3 In 0.50000 0.39227 0.83606 1.00000
In4 In 0.50000 0.58626 0.00000 1.00000
In5 In 0.00000 0.41374 0.50000 1.00000
In6 In 0.00000 0.60773 0.66394 1.00000
In7 In 0.00000 0.60773 0.33606 1.00000
In8 In 0.50000 0.93702 0.00000 1.00000
In9 In 0.00000 0.97162 0.16054 1.00000
In10 In 0.50000 0.39227 0.16394 1.00000
In11 In 0.00000 0.06298 0.50000 1.00000
In12 In 0.50000 0.02838 0.33946 1.00000
Ga1 Ga 0.00000 0.54776 0.86206 1.00000
Ga2 Ga 0.00000 0.87118 0.64868 1.00000
Ga3 Ga 0.00000 0.75971 0.00000 1.00000
Ga4 Ga 0.50000 0.45224 0.63794 1.00000
Ga5 Ga 0.50000 0.24029 0.50000 1.00000
Ga6 Ga 0.00000 0.54776 0.13794 1.00000
Ga7 Ga 0.50000 0.45225 0.36206 1.00000
Ga8 Ga 0.00000 0.87118 0.35132 1.00000
Ga9 Ga 0.50000 0.12882 0.85132 1.00000
Ga10 Ga 0.50000 0.12882 0.14868 1.00000
