AgI3O8
Alexandria ALEXAlex-ID: agm005222703 · 空间群: Pnc2 (#30)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_928_spg30
AgI3O8
2024-10-08 03:37:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222703).
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 agm005222703
data_agm005222703
_cell_length_a 8.24429
_cell_length_b 8.24356
_cell_length_c 12.07683
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 820.76977
_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
Ag1 Ag 0.50000 0.00000 0.03156 1.00000
Ag2 Ag 0.00000 0.00000 0.53156 1.00000
Ag3 Ag 0.50000 0.50000 0.00709 1.00000
Ag4 Ag 0.00000 0.50000 0.50709 1.00000
I1 I 0.71808 0.24896 0.82783 1.00000
I2 I 0.28192 0.75104 0.82783 1.00000
I3 I 0.21808 0.75104 0.32783 1.00000
I4 I 0.78192 0.24896 0.32783 1.00000
I5 I 0.00000 0.00000 0.94889 1.00000
I6 I 0.50000 0.00000 0.44889 1.00000
I7 I 0.74786 0.77710 0.20669 1.00000
I8 I 0.25214 0.22290 0.20669 1.00000
I9 I 0.24786 0.22290 0.70669 1.00000
I10 I 0.75214 0.77710 0.70669 1.00000
I11 I 0.00000 0.50000 0.08133 1.00000
I12 I 0.50000 0.50000 0.58133 1.00000
O1 O 0.75609 0.42218 0.91869 1.00000
O2 O 0.24391 0.57782 0.91869 1.00000
O3 O 0.25609 0.57782 0.41869 1.00000
O4 O 0.74391 0.42218 0.41869 1.00000
O5 O 0.50115 0.22958 0.85059 1.00000
O6 O 0.49885 0.77042 0.85059 1.00000
O7 O 0.00115 0.77042 0.35059 1.00000
O8 O 0.99885 0.22958 0.35059 1.00000
O9 O 0.75945 0.07915 0.93921 1.00000
O10 O 0.24055 0.92085 0.93921 1.00000
O11 O 0.25945 0.92085 0.43921 1.00000
O12 O 0.74055 0.07915 0.43921 1.00000
O13 O 0.04325 0.16882 0.85321 1.00000
O14 O 0.95675 0.83118 0.85321 1.00000
O15 O 0.54325 0.83118 0.35321 1.00000
O16 O 0.45675 0.16882 0.35321 1.00000
O17 O 0.57337 0.73885 0.11685 1.00000
O18 O 0.42663 0.26115 0.11685 1.00000
O19 O 0.07337 0.26115 0.61685 1.00000
O20 O 0.92663 0.73885 0.61685 1.00000
O21 O 0.76387 0.99429 0.18554 1.00000
O22 O 0.23613 0.00571 0.18554 1.00000
O23 O 0.26387 0.00571 0.68554 1.00000
O24 O 0.73613 0.99429 0.68554 1.00000
O25 O 0.91617 0.73808 0.09252 1.00000
O26 O 0.08383 0.26192 0.09252 1.00000
O27 O 0.41617 0.26192 0.59252 1.00000
O28 O 0.58383 0.73808 0.59252 1.00000
O29 O 0.83203 0.45242 0.17649 1.00000
O30 O 0.16797 0.54758 0.17649 1.00000
O31 O 0.33203 0.54758 0.67649 1.00000
O32 O 0.66797 0.45242 0.67649 1.00000
