Sn2CO3
Alexandria ALEXAlex-ID: agm002140362 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_266_spg12
Sn3O4 SnO2 C
2023-03-24 19:44:54.025641
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002140362).
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 agm002140362
data_agm002140362
_cell_length_a 5.74149
_cell_length_b 6.14463
_cell_length_c 7.61294
_cell_angle_alpha 65.74174
_cell_angle_beta 65.00224
_cell_angle_gamma 57.41219
_cell_volume 199.10480
_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
C1 C 0.44802 0.20794 0.13481 1.00000
C2 C 0.55198 0.79206 0.86519 1.00000
Sn1 Sn 0.91689 0.88202 0.31188 1.00000
Sn2 Sn 0.08311 0.11798 0.68812 1.00000
Sn3 Sn 0.22420 0.53636 0.71046 1.00000
Sn4 Sn 0.77580 0.46364 0.28954 1.00000
O1 O 0.40719 0.13144 0.32701 1.00000
O2 O 0.59281 0.86856 0.67299 1.00000
O3 O 0.70849 0.13289 0.02575 1.00000
O4 O 0.77120 0.64419 0.94201 1.00000
O5 O 0.29151 0.86711 0.97425 1.00000
O6 O 0.22880 0.35581 0.05799 1.00000
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