Mg4TlRh
Alexandria ALEXAlex-ID: agm005809253 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
Mg6Tl2Rh Mg5Rh2 Tl
2023-07-29 05:44:45.639149
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809253).
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 agm005809253
data_agm005809253
_cell_length_a 5.67705
_cell_length_b 7.34811
_cell_length_c 7.34810
_cell_angle_alpha 112.44692
_cell_angle_beta 101.30565
_cell_angle_gamma 101.30567
_cell_volume 265.10749
_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 0.86111 0.64788 0.81042 1.00000
Mg2 Mg 0.05770 0.93463 0.27733 1.00000
Mg3 Mg 0.63889 0.18958 0.35212 1.00000
Mg4 Mg 0.44230 0.72267 0.06537 1.00000
Mg5 Mg 0.55770 0.27733 0.93463 1.00000
Mg6 Mg 0.36111 0.81042 0.64788 1.00000
Mg7 Mg 0.94230 0.06537 0.72267 1.00000
Mg8 Mg 0.13889 0.35212 0.18958 1.00000
Tl1 Tl 0.75000 0.62167 0.37833 1.00000
Tl2 Tl 0.25000 0.37833 0.62167 1.00000
Rh1 Rh 0.25000 0.99820 0.00180 1.00000
Rh2 Rh 0.75000 0.00180 0.99820 1.00000
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