ZnSeO8
Alexandria ALEXAlex-ID: agm024367024 · 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
ABC8_357_spg15
ZnSeO8
2025-01-15 22:53:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024367024).
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 agm024367024
data_agm024367024
_cell_length_a 5.68989
_cell_length_b 5.70800
_cell_length_c 8.87337
_cell_angle_alpha 83.13658
_cell_angle_beta 83.58355
_cell_angle_gamma 87.03403
_cell_volume 284.11595
_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
Zn1 Zn 0.00000 0.50000 0.00000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.98588 0.01379 0.74997 1.00000
Se2 Se 0.01412 0.98621 0.25003 1.00000
O1 O 0.05026 0.27373 0.18057 1.00000
O2 O 0.72549 0.95473 0.31799 1.00000
O3 O 0.94974 0.72627 0.81943 1.00000
O4 O 0.27451 0.04527 0.68201 1.00000
O5 O 0.92763 0.19805 0.88267 1.00000
O6 O 0.80206 0.07342 0.61551 1.00000
O7 O 0.07237 0.80195 0.11733 1.00000
O8 O 0.19794 0.92658 0.38449 1.00000
O9 O 0.61787 0.58010 0.10854 1.00000
O10 O 0.41869 0.38195 0.39271 1.00000
O11 O 0.38213 0.41990 0.89146 1.00000
O12 O 0.58131 0.61805 0.60729 1.00000
O13 O 0.54137 0.78157 0.06915 1.00000
O14 O 0.21662 0.45714 0.43148 1.00000
O15 O 0.45863 0.21843 0.93085 1.00000
O16 O 0.78338 0.54286 0.56852 1.00000
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