MgHg3Pb
Alexandria ALEXAlex-ID: agm005757571 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6447_spg63
MgHg Pb Hg
2023-07-04 18:14:07.655164
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757571).
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 agm005757571
data_agm005757571
_cell_length_a 3.38503
_cell_length_b 7.46994
_cell_length_c 11.39292
_cell_angle_alpha 93.99729
_cell_angle_beta 98.54332
_cell_angle_gamma 62.01381
_cell_volume 251.57012
_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 0.25265 0.75000 0.50529 1.00000
Mg2 Mg 0.74735 0.25000 0.49471 1.00000
Hg1 Hg 0.57503 0.00632 0.66507 1.00000
Hg2 Hg 0.90996 0.50632 0.33493 1.00000
Hg3 Hg 0.56691 0.25000 0.13382 1.00000
Hg4 Hg 0.42497 0.99368 0.33493 1.00000
Hg5 Hg 0.09004 0.49368 0.66507 1.00000
Hg6 Hg 0.43309 0.75000 0.86618 1.00000
Pb1 Pb 0.94204 0.25000 0.88408 1.00000
Pb2 Pb 0.05796 0.75000 0.11592 1.00000
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