HgSbIO2
Alexandria ALEXAlex-ID: agm005010263 · 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_1983_spg11
HgI SbO2
2022-07-04 22:39:53.003235
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010263).
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 agm005010263
data_agm005010263
_cell_length_a 4.06798
_cell_length_b 7.45492
_cell_length_c 9.02223
_cell_angle_alpha 111.14611
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 255.18831
_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
Hg1 Hg 0.25000 0.73085 0.89935 1.00000
Hg2 Hg 0.75000 0.26915 0.10065 1.00000
Sb1 Sb 0.25000 0.61766 0.41155 1.00000
Sb2 Sb 0.75000 0.38234 0.58845 1.00000
I1 I 0.25000 0.09560 0.82316 1.00000
I2 I 0.75000 0.90440 0.17684 1.00000
O1 O 0.75000 0.53091 0.43221 1.00000
O2 O 0.25000 0.46909 0.56779 1.00000
O3 O 0.75000 0.59346 0.80015 1.00000
O4 O 0.25000 0.40654 0.19985 1.00000
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