MgGe2F8
Alexandria ALEXAlex-ID: agm005994480 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_3_spg164
MgGeF6 GeF2
2023-10-16 03:19:42.997460
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994480).
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 agm005994480
data_agm005994480
_cell_length_a 5.09181
_cell_length_b 6.15739
_cell_length_c 6.15739
_cell_angle_alpha 120.00003
_cell_angle_beta 90.00024
_cell_angle_gamma 89.99994
_cell_volume 167.18457
_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
Mg1 Mg 0.00000 0.00000 0.99999 1.00000
Ge1 Ge 0.25580 0.33333 0.66666 1.00000
Ge2 Ge 0.74420 0.66666 0.33332 1.00000
F1 F 0.39613 0.66667 0.33332 1.00000
F2 F 0.60387 0.33333 0.66666 1.00000
F3 F 0.77381 0.84422 0.15559 1.00000
F4 F 0.22619 0.15560 0.31137 1.00000
F5 F 0.22619 0.68863 0.84422 1.00000
F6 F 0.22619 0.15578 0.84440 1.00000
F7 F 0.77381 0.84440 0.68862 1.00000
F8 F 0.77381 0.31137 0.15576 1.00000
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