Cs(NO3)2
Alexandria ALEXAlex-ID: agm005687413 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2548_spg15
CsNO4 NO2
2023-07-09 00:42:25.879192
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687413).
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
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# CIF generated by HEAS from Alexandria entry agm005687413
data_agm005687413
_cell_length_a 7.84470
_cell_length_b 7.87313
_cell_length_c 7.87313
_cell_angle_alpha 69.40557
_cell_angle_beta 61.48956
_cell_angle_gamma 61.48956
_cell_volume 370.60993
_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
Cs1 Cs 0.25000 0.22208 0.77792 1.00000
Cs2 Cs 0.75000 0.77792 0.22208 1.00000
N1 N 0.36468 0.67142 0.83469 1.00000
N2 N 0.13532 0.16531 0.32858 1.00000
N3 N 0.63532 0.32858 0.16531 1.00000
N4 N 0.86468 0.83469 0.67142 1.00000
O1 O 0.49519 0.73339 0.68593 1.00000
O2 O 0.00481 0.31407 0.26661 1.00000
O3 O 0.50481 0.26661 0.31407 1.00000
O4 O 0.99519 0.68593 0.73339 1.00000
O5 O 0.88862 0.86934 0.49465 1.00000
O6 O 0.61138 0.50535 0.13066 1.00000
O7 O 0.11138 0.13066 0.50535 1.00000
O8 O 0.38862 0.49465 0.86934 1.00000
O9 O 0.21094 0.78726 0.94875 1.00000
O10 O 0.28906 0.05125 0.21274 1.00000
O11 O 0.78906 0.21274 0.05125 1.00000
O12 O 0.71094 0.94875 0.78726 1.00000
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