Mg2Ga3Hg
Alexandria ALEXAlex-ID: agm005808481 · 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
AB2C3_2615_spg2
Mg2Ga5 Hg MgHg
2023-08-29 17:39:53.176684
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808481).
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 agm005808481
data_agm005808481
_cell_length_a 3.77697
_cell_length_b 10.34663
_cell_length_c 7.22923
_cell_angle_alpha 67.92095
_cell_angle_beta 88.53639
_cell_angle_gamma 99.77148
_cell_volume 256.75730
_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 0.41738 0.86348 0.77967 1.00000
Mg2 Mg 0.58262 0.13652 0.22033 1.00000
Mg3 Mg 0.84245 0.62681 0.29345 1.00000
Mg4 Mg 0.15755 0.37319 0.70655 1.00000
Ga1 Ga 0.34652 0.67415 0.56677 1.00000
Ga2 Ga 0.95447 0.89330 0.42730 1.00000
Ga3 Ga 0.53772 0.12451 0.83637 1.00000
Ga4 Ga 0.46228 0.87549 0.16363 1.00000
Ga5 Ga 0.04553 0.10670 0.57270 1.00000
Ga6 Ga 0.65348 0.32585 0.43323 1.00000
Hg1 Hg 0.80691 0.62635 0.90142 1.00000
Hg2 Hg 0.19309 0.37365 0.09858 1.00000
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