Y15InO24
Alexandria ALEXAlex-ID: agm017609847 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB15C24_6_spg5
Y2O3 In2O3
2024-12-11 12:09:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017609847).
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 agm017609847
data_agm017609847
_cell_length_a 9.23820
_cell_length_b 9.23820
_cell_length_c 10.68162
_cell_angle_alpha 54.82432
_cell_angle_beta 125.17568
_cell_angle_gamma 109.46674
_cell_volume 609.07318
_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
Y1 Y 0.00094 0.00053 0.75146 1.00000
Y2 Y 0.78288 0.78288 0.50000 1.00000
Y3 Y 0.74772 0.24927 0.21711 1.00000
Y4 Y 0.24927 0.74772 0.78289 1.00000
Y5 Y 0.53275 0.96856 0.53160 1.00000
Y6 Y 0.03208 0.46613 0.03265 1.00000
Y7 Y 0.00053 0.00094 0.24854 1.00000
Y8 Y 0.71725 0.71725 0.00000 1.00000
Y9 Y 0.50018 0.49680 0.25062 1.00000
Y10 Y 0.28216 0.28216 0.50000 1.00000
Y11 Y 0.49680 0.50018 0.74938 1.00000
Y12 Y 0.96856 0.53275 0.46840 1.00000
Y13 Y 0.46613 0.03208 0.96735 1.00000
Y14 Y 0.25055 0.75165 0.28134 1.00000
Y15 Y 0.75165 0.25055 0.71866 1.00000
In1 In 0.21806 0.21806 0.00000 1.00000
O1 O 0.76843 0.50934 0.97766 1.00000
O2 O 0.98910 0.72861 0.78239 1.00000
O3 O 0.23858 0.95876 0.02051 1.00000
O4 O 0.04326 0.76234 0.51966 1.00000
O5 O 0.45707 0.74075 0.73782 1.00000
O6 O 0.26065 0.54392 0.23648 1.00000
O7 O 0.50934 0.76843 0.02234 1.00000
O8 O 0.72861 0.98910 0.21761 1.00000
O9 O 0.03058 0.22862 0.29231 1.00000
O10 O 0.53127 0.72806 0.51103 1.00000
O11 O 0.27122 0.46210 0.01074 1.00000
O12 O 0.77203 0.96910 0.79271 1.00000
O13 O 0.72806 0.53127 0.48897 1.00000
O14 O 0.96910 0.77203 0.20729 1.00000
O15 O 0.46210 0.27122 0.98926 1.00000
O16 O 0.22862 0.03058 0.70769 1.00000
O17 O 0.48935 0.22909 0.47986 1.00000
O18 O 0.27338 0.01687 0.27759 1.00000
O19 O 0.74075 0.45707 0.26218 1.00000
O20 O 0.54392 0.26065 0.76352 1.00000
O21 O 0.76234 0.04326 0.48034 1.00000
O22 O 0.95876 0.23858 0.97949 1.00000
O23 O 0.22909 0.48935 0.52014 1.00000
O24 O 0.01687 0.27338 0.72241 1.00000
