In15Ru3O14
Alexandria ALEXAlex-ID: agm007993439 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B14C15_2_spg8
In2O3 In3Ru Ru
2024-05-31 11:12:13.931653
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007993439).
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 agm007993439
data_agm007993439
_cell_length_a 7.23311
_cell_length_b 7.23311
_cell_length_c 12.49477
_cell_angle_alpha 83.14137
_cell_angle_beta 83.14137
_cell_angle_gamma 58.85863
_cell_volume 554.21370
_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 0.35575 0.82897 0.06590 1.00000
In2 In 0.37726 0.89414 0.33555 1.00000
In3 In 0.89414 0.37726 0.33555 1.00000
In4 In 0.00601 0.00601 0.61242 1.00000
In5 In 0.07161 0.64559 0.85332 1.00000
In6 In 0.64559 0.07161 0.85332 1.00000
In7 In 0.82522 0.82522 0.11719 1.00000
In8 In 0.58955 0.58955 0.80265 1.00000
In9 In 0.86594 0.86594 0.37431 1.00000
In10 In 0.00816 0.48576 0.58080 1.00000
In11 In 0.48576 0.00816 0.58080 1.00000
In12 In 0.50677 0.50677 0.55262 1.00000
In13 In 0.12929 0.12929 0.82092 1.00000
In14 In 0.82897 0.35575 0.06590 1.00000
In15 In 0.38928 0.38928 0.29849 1.00000
Ru1 Ru 0.71604 0.71604 0.95357 1.00000
Ru2 Ru 0.02708 0.02708 0.22269 1.00000
Ru3 Ru 0.33226 0.33226 0.71268 1.00000
O1 O 0.73160 0.73160 0.27578 1.00000
O2 O 0.82571 0.20965 0.75502 1.00000
O3 O 0.20965 0.82571 0.75502 1.00000
O4 O 0.08431 0.50824 0.39887 1.00000
O5 O 0.50824 0.08431 0.39887 1.00000
O6 O 0.65390 0.65390 0.63557 1.00000
O7 O 0.52719 0.52719 0.37546 1.00000
O8 O 0.41333 0.41333 0.84780 1.00000
O9 O 0.85850 0.85850 0.54939 1.00000
O10 O 0.05568 0.05568 0.98781 1.00000
O11 O 0.30551 0.86803 0.51502 1.00000
O12 O 0.86803 0.30551 0.51502 1.00000
O13 O 0.18358 0.68881 0.17908 1.00000
O14 O 0.68881 0.18358 0.17908 1.00000
