AgI3N2O
Alexandria ALEXAlex-ID: agm005249767 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D3_170_spg62
AgI3O8 AgI IN4 I
2023-05-12 06:59:00.363440
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249767).
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 agm005249767
data_agm005249767
_cell_length_a 3.02222
_cell_length_b 12.93669
_cell_length_c 21.10595
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 825.18974
_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 0.75000 0.74396 0.36379 1.00000
Ag2 Ag 0.75000 0.24396 0.13621 1.00000
Ag3 Ag 0.25000 0.25604 0.63621 1.00000
Ag4 Ag 0.25000 0.75604 0.86379 1.00000
I1 I 0.75000 0.70372 0.20134 1.00000
I2 I 0.75000 0.20372 0.29866 1.00000
I3 I 0.25000 0.29628 0.79866 1.00000
I4 I 0.25000 0.79628 0.70134 1.00000
I5 I 0.75000 0.53874 0.40020 1.00000
I6 I 0.75000 0.03874 0.09980 1.00000
I7 I 0.25000 0.46126 0.59980 1.00000
I8 I 0.25000 0.96126 0.90020 1.00000
I9 I 0.25000 0.92500 0.40613 1.00000
I10 I 0.25000 0.42500 0.09387 1.00000
I11 I 0.75000 0.07500 0.59387 1.00000
I12 I 0.75000 0.57500 0.90613 1.00000
N1 N 0.25000 0.70433 0.27034 1.00000
N2 N 0.25000 0.20433 0.22966 1.00000
N3 N 0.75000 0.29567 0.72966 1.00000
N4 N 0.75000 0.79567 0.77034 1.00000
N5 N 0.75000 0.73480 0.08247 1.00000
N6 N 0.75000 0.23480 0.41753 1.00000
N7 N 0.25000 0.26520 0.91753 1.00000
N8 N 0.25000 0.76520 0.58247 1.00000
O1 O 0.25000 0.73301 0.05412 1.00000
O2 O 0.25000 0.23301 0.44588 1.00000
O3 O 0.75000 0.26699 0.94588 1.00000
O4 O 0.75000 0.76699 0.55412 1.00000
