Hg6OsF8
Alexandria ALEXAlex-ID: agm072143542 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_903_spg2
Hg2OsF6 Os HgF
2024-10-06 08:13:46.784385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072143542).
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 agm072143542
data_agm072143542
_cell_length_a 7.27276
_cell_length_b 6.19414
_cell_length_c 8.60224
_cell_angle_alpha 86.17540
_cell_angle_beta 110.56045
_cell_angle_gamma 103.29366
_cell_volume 353.06949
_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 0.04525 0.21526 0.50742 1.00000
Hg2 Hg 0.51991 0.41104 0.86492 1.00000
Hg3 Hg 0.46345 0.83137 0.38799 1.00000
Hg4 Hg 0.95475 0.78474 0.49258 1.00000
Hg5 Hg 0.48009 0.58896 0.13508 1.00000
Hg6 Hg 0.53655 0.16863 0.61201 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
F1 F 0.02669 0.78804 0.86119 1.00000
F2 F 0.97330 0.21196 0.13881 1.00000
F3 F 0.99464 0.21879 0.82767 1.00000
F4 F 0.29033 0.09406 0.09510 1.00000
F5 F 0.21016 0.56155 0.54030 1.00000
F6 F 0.00536 0.78121 0.17233 1.00000
F7 F 0.70967 0.90594 0.90490 1.00000
F8 F 0.78984 0.43845 0.45970 1.00000
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