In14Ga3Pt2O8F15
Alexandria ALEXAlex-ID: agm005244071 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8D14E15_0_spg148
In14Ga3Pt2O8F15
2023-04-17 08:07:57.661348
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244071).
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 agm005244071
data_agm005244071
_cell_length_a 16.04998
_cell_length_b 16.04998
_cell_length_c 16.04998
_cell_angle_alpha 26.01486
_cell_angle_beta 26.01486
_cell_angle_gamma 26.01486
_cell_volume 700.63457
_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
In1 In 0.14852 0.14852 0.14852 1.00000
In2 In 0.70204 0.19284 0.19433 1.00000
In3 In 0.19433 0.70204 0.19284 1.00000
In4 In 0.19284 0.19433 0.70204 1.00000
In5 In 0.61137 0.58411 0.09162 1.00000
In6 In 0.09162 0.61137 0.58411 1.00000
In7 In 0.58411 0.09162 0.61137 1.00000
In8 In 0.90838 0.38863 0.41589 1.00000
In9 In 0.41589 0.90838 0.38863 1.00000
In10 In 0.38863 0.41589 0.90838 1.00000
In11 In 0.80716 0.80567 0.29796 1.00000
In12 In 0.80567 0.29796 0.80716 1.00000
In13 In 0.29796 0.80716 0.80567 1.00000
In14 In 0.85148 0.85148 0.85148 1.00000
Ga1 Ga 0.30012 0.30012 0.30012 1.00000
Ga2 Ga 0.50000 0.50000 0.50000 1.00000
Ga3 Ga 0.69988 0.69988 0.69988 1.00000
Pt1 Pt 0.39636 0.39636 0.39636 1.00000
Pt2 Pt 0.60364 0.60364 0.60364 1.00000
O1 O 0.25932 0.25932 0.25932 1.00000
O2 O 0.59681 0.17232 0.17295 1.00000
O3 O 0.17295 0.59681 0.17232 1.00000
O4 O 0.17232 0.17295 0.59681 1.00000
O5 O 0.82768 0.82705 0.40319 1.00000
O6 O 0.40319 0.82768 0.82705 1.00000
O7 O 0.82705 0.40319 0.82768 1.00000
O8 O 0.74068 0.74068 0.74068 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
F2 F 0.05410 0.05410 0.05410 1.00000
F3 F 0.54739 0.07029 0.04320 1.00000
F4 F 0.04320 0.54739 0.07029 1.00000
F5 F 0.07029 0.04320 0.54739 1.00000
F6 F 0.63278 0.57106 0.22543 1.00000
F7 F 0.22543 0.63278 0.57106 1.00000
F8 F 0.57106 0.22543 0.63278 1.00000
F9 F 0.42894 0.77457 0.36722 1.00000
F10 F 0.77457 0.36722 0.42894 1.00000
F11 F 0.36722 0.42894 0.77457 1.00000
F12 F 0.92971 0.95680 0.45261 1.00000
F13 F 0.45261 0.92971 0.95680 1.00000
F14 F 0.95680 0.45261 0.92971 1.00000
F15 F 0.94590 0.94590 0.94590 1.00000
