Ca5In15Au8
Alexandria ALEXAlex-ID: agm009388944 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B8C15_0_spg6
Ca2In5Au3 CaIn2Au In2Au
2024-07-20 15:38:49.257652
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009388944).
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 agm009388944
data_agm009388944
_cell_length_a 4.58858
_cell_length_b 7.74908
_cell_length_c 18.90814
_cell_angle_alpha 90.00756
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 672.32147
_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
Ca1 Ca 0.00000 0.05239 0.85459 1.00000
Ca2 Ca 0.00000 0.43910 0.35574 1.00000
Ca3 Ca 0.50000 0.94361 0.14740 1.00000
Ca4 Ca 0.50000 0.55731 0.64302 1.00000
Ca5 Ca 0.00000 0.52071 0.93028 1.00000
In1 In 0.50000 0.75301 0.81464 1.00000
In2 In 0.50000 0.73921 0.31472 1.00000
In3 In 0.00000 0.24172 0.18596 1.00000
In4 In 0.00000 0.25419 0.68655 1.00000
In5 In 0.50000 0.86563 0.96861 1.00000
In6 In 0.50000 0.62725 0.46550 1.00000
In7 In 0.00000 0.14910 0.03274 1.00000
In8 In 0.00000 0.36144 0.53435 1.00000
In9 In 0.50000 0.35294 0.81113 1.00000
In10 In 0.50000 0.14730 0.31314 1.00000
In11 In 0.00000 0.64507 0.19008 1.00000
In12 In 0.00000 0.85490 0.68420 1.00000
In13 In 0.00000 0.00456 0.43325 1.00000
In14 In 0.50000 0.50081 0.06803 1.00000
In15 In 0.50000 0.98924 0.56690 1.00000
Au1 Au 0.50000 0.24326 0.95347 1.00000
Au2 Au 0.50000 0.24647 0.45742 1.00000
Au3 Au 0.00000 0.77118 0.05207 1.00000
Au4 Au 0.00000 0.74430 0.54089 1.00000
Au5 Au 0.50000 0.05209 0.72336 1.00000
Au6 Au 0.50000 0.44200 0.22177 1.00000
Au7 Au 0.00000 0.94374 0.27990 1.00000
Au8 Au 0.00000 0.55748 0.77029 1.00000
