Sn2N2O
Alexandria ALEXAlex-ID: agm005240467 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_5842_spg1
SnNO SnN
2024-10-06 06:16:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240467).
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 agm005240467
data_agm005240467
_cell_length_a 8.82922
_cell_length_b 8.83741
_cell_length_c 8.84495
_cell_angle_alpha 109.39222
_cell_angle_beta 109.28605
_cell_angle_gamma 109.21257
_cell_volume 534.67613
_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
Sn1 Sn 0.97416 0.22396 0.26335 1.00000
Sn2 Sn 0.99028 0.99672 0.48984 1.00000
Sn3 Sn 0.72871 0.75702 0.97442 1.00000
Sn4 Sn 0.77969 0.23970 0.53056 1.00000
Sn5 Sn 0.25225 0.53359 0.78682 1.00000
Sn6 Sn 0.25225 0.03269 0.28198 1.00000
Sn7 Sn 0.53816 0.28762 0.75239 1.00000
Sn8 Sn 0.51523 0.50416 0.50153 1.00000
Sn9 Sn 0.48828 0.99033 0.99077 1.00000
Sn10 Sn 0.00710 0.50581 0.01089 1.00000
Sn11 Sn 0.46506 0.71448 0.24976 1.00000
Sn12 Sn 0.75023 0.47259 0.20800 1.00000
Sn13 Sn 0.73501 0.95242 0.70370 1.00000
Sn14 Sn 0.20775 0.73278 0.46188 1.00000
Sn15 Sn 0.29656 0.25563 0.03036 1.00000
Sn16 Sn 0.03442 0.78758 0.75009 1.00000
N1 N 0.04093 0.27954 0.54440 1.00000
N2 N 0.54209 0.26406 0.50186 1.00000
N3 N 0.22554 0.45504 0.99330 1.00000
N4 N 0.51309 0.76931 0.03837 1.00000
N5 N 0.99462 0.44948 0.23117 1.00000
N6 N 0.72444 0.96128 0.45916 1.00000
N7 N 0.50145 0.22270 0.95025 1.00000
N8 N 0.77919 0.73849 0.74307 1.00000
N9 N 0.23370 0.77618 0.23658 1.00000
N10 N 0.26085 0.00369 0.03759 1.00000
N11 N 0.77212 0.54263 0.99589 1.00000
N12 N 0.45591 0.72427 0.50604 1.00000
N13 N 0.26010 0.75516 0.72623 1.00000
N14 N 0.96920 0.97059 0.22695 1.00000
N15 N 0.95905 0.73602 0.46082 1.00000
N16 N 0.54622 0.50007 0.26961 1.00000
O1 O 0.44959 0.48519 0.71893 1.00000
O2 O 0.04181 0.05242 0.77028 1.00000
O3 O 0.71772 0.21442 0.26518 1.00000
O4 O 0.77532 0.22498 0.77882 1.00000
O5 O 0.73170 0.01343 0.95641 1.00000
O6 O 0.98074 0.53445 0.76823 1.00000
O7 O 0.27082 0.05393 0.55083 1.00000
O8 O 0.23865 0.28556 0.28371 1.00000
