SrCIN2
Alexandria ALEXAlex-ID: agm005014530 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1638_spg11
SrCN2 Sr(IN)2 C
2022-07-04 01:39:56.751585
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014530).
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 agm005014530
data_agm005014530
_cell_length_a 4.64340
_cell_length_b 7.67510
_cell_length_c 6.91097
_cell_angle_alpha 83.87413
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 244.89044
_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
Sr1 Sr 0.75000 0.19528 0.63174 1.00000
Sr2 Sr 0.25000 0.80472 0.36826 1.00000
C1 C 0.25000 0.98146 0.82988 1.00000
C2 C 0.75000 0.01854 0.17012 1.00000
I1 I 0.75000 0.51223 0.24712 1.00000
I2 I 0.25000 0.48777 0.75288 1.00000
N1 N 0.75000 0.03228 0.98795 1.00000
N2 N 0.25000 0.96772 0.01205 1.00000
N3 N 0.25000 0.00563 0.65224 1.00000
N4 N 0.75000 0.99437 0.34776 1.00000
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