Mg8CoHg2
Alexandria ALEXAlex-ID: agm005950403 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_533_spg12
Mg5Hg2 MgCo2 Mg
2023-10-20 06:43:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005950403).
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 agm005950403
data_agm005950403
_cell_length_a 4.55520
_cell_length_b 7.93655
_cell_length_c 7.70625
_cell_angle_alpha 120.99380
_cell_angle_beta 107.19064
_cell_angle_gamma 90.00000
_cell_volume 224.17940
_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 0.65023 0.88126 0.30045 1.00000
Mg2 Mg 0.34977 0.58080 0.69954 1.00000
Mg3 Mg 0.13345 0.13344 0.26689 1.00000
Mg4 Mg 0.00000 0.30138 0.00001 1.00000
Mg5 Mg 0.86655 0.86655 0.73311 1.00000
Mg6 Mg 0.65023 0.41920 0.30046 1.00000
Mg7 Mg 0.34977 0.11874 0.69955 1.00000
Mg8 Mg 1.00000 0.69862 0.99999 1.00000
Co1 Co 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.19472 0.69473 0.38944 1.00000
Hg2 Hg 0.80528 0.30527 0.61056 1.00000
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