CeMgHg3
Alexandria ALEXAlex-ID: agm003712964 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4829_spg63
Ce2MgHg5 MgHg
2022-04-16 04:52:29.835691
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003712964).
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 agm003712964
data_agm003712964
_cell_length_a 5.32682
_cell_length_b 3.39920
_cell_length_c 14.97663
_cell_angle_alpha 96.51617
_cell_angle_beta 110.04643
_cell_angle_gamma 90.00000
_cell_volume 252.88587
_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
Ce1 Ce 0.11640 0.42987 0.85975 1.00000
Ce2 Ce 0.88360 0.57013 0.14025 1.00000
Mg1 Mg 0.50826 0.13472 0.26944 1.00000
Mg2 Mg 0.49174 0.86528 0.73056 1.00000
Hg1 Hg 0.68945 0.96815 0.93630 1.00000
Hg2 Hg 0.31055 0.03185 0.06370 1.00000
Hg3 Hg 0.68678 0.72291 0.44583 1.00000
Hg4 Hg 0.31322 0.27709 0.55417 1.00000
Hg5 Hg 0.91980 0.82835 0.65670 1.00000
Hg6 Hg 0.08020 0.17165 0.34330 1.00000
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