Rb4I4N3
Alexandria ALEXAlex-ID: agm005706239 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_195_spg187
RbIN RbI
2023-06-30 02:04:50.649650
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706239).
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 agm005706239
data_agm005706239
_cell_length_a 6.13385
_cell_length_b 6.64983
_cell_length_c 14.73842
_cell_angle_alpha 90.00018
_cell_angle_beta 90.00000
_cell_angle_gamma 117.46482
_cell_volume 533.41161
_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 0.69232 0.38463 0.74876 1.00000
Rb2 Rb 0.69231 0.38463 0.25124 1.00000
Rb3 Rb 0.01192 0.02383 0.50000 1.00000
Rb4 Rb 0.02274 0.04549 1.00000 1.00000
I1 I 0.69288 0.38576 0.50000 1.00000
I2 I 0.70101 0.40203 0.00000 1.00000
I3 I 0.00950 0.01901 0.74981 1.00000
I4 I 0.00950 0.01901 0.25019 1.00000
N1 N 0.29183 0.58367 0.05177 1.00000
N2 N 0.29183 0.58367 0.94823 1.00000
N3 N 0.38264 0.76527 1.00000 1.00000
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