Rb2Y6IrI12
Alexandria ALEXAlex-ID: agm020263162 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6D12_20_spg14
Rb2Y10Ir2I17 Y7IrI12 YI3 Rb4Y6IrI14
2024-10-30 13:38:20.245808
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020263162).
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 agm020263162
data_agm020263162
_cell_length_a 19.26100
_cell_length_b 9.74000
_cell_length_c 9.74987
_cell_angle_alpha 72.53258
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1744.75288
_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
Rb1 Rb 0.31130 0.09593 0.09944 1.00000
Rb2 Rb 0.81130 0.40407 0.90056 1.00000
Rb3 Rb 0.68870 0.90407 0.90056 1.00000
Rb4 Rb 0.18870 0.59593 0.09944 1.00000
Y1 Y 0.45368 0.23833 0.48684 1.00000
Y2 Y 0.63470 0.40308 0.52261 1.00000
Y3 Y 0.54632 0.76167 0.51316 1.00000
Y4 Y 0.98340 0.08951 0.21345 1.00000
Y5 Y 0.51660 0.58951 0.21345 1.00000
Y6 Y 0.86530 0.90308 0.52261 1.00000
Y7 Y 0.04632 0.73833 0.48684 1.00000
Y8 Y 0.13470 0.09692 0.47739 1.00000
Y9 Y 0.95368 0.26167 0.51316 1.00000
Y10 Y 0.01660 0.91049 0.78655 1.00000
Y11 Y 0.48340 0.41049 0.78655 1.00000
Y12 Y 0.36530 0.59692 0.47739 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.00000 0.00000 0.50000 1.00000
I1 I 0.06649 0.60203 0.81268 1.00000
I2 I 0.20590 0.81083 0.43069 1.00000
I3 I 0.17365 0.99807 0.79921 1.00000
I4 I 0.70590 0.68917 0.56931 1.00000
I5 I 0.43351 0.10203 0.81268 1.00000
I6 I 0.53002 0.69353 0.85338 1.00000
I7 I 0.46998 0.30647 0.14662 1.00000
I8 I 0.09814 0.41679 0.48118 1.00000
I9 I 0.56649 0.89797 0.18732 1.00000
I10 I 0.86400 0.78339 0.85680 1.00000
I11 I 0.36400 0.71661 0.14320 1.00000
I12 I 0.67365 0.50193 0.20079 1.00000
I13 I 0.59814 0.08321 0.51882 1.00000
I14 I 0.03002 0.80647 0.14662 1.00000
I15 I 0.79410 0.18917 0.56931 1.00000
I16 I 0.29410 0.31083 0.43069 1.00000
I17 I 0.90186 0.58321 0.51882 1.00000
I18 I 0.40186 0.91679 0.48118 1.00000
I19 I 0.93351 0.39797 0.18732 1.00000
I20 I 0.63600 0.28339 0.85680 1.00000
I21 I 0.13600 0.21661 0.14320 1.00000
I22 I 0.82635 0.00193 0.20079 1.00000
I23 I 0.96998 0.19353 0.85338 1.00000
I24 I 0.32635 0.49807 0.79921 1.00000
