Mg5(SbPb)2
Alexandria ALEXAlex-ID: agm009873369 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_59_spg64
Mg3Sb2 MgPb
2024-03-17 10:23:40.729385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009873369).
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 agm009873369
data_agm009873369
_cell_length_a 8.84432
_cell_length_b 8.84432
_cell_length_c 7.81952
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 129.76129
_cell_volume 470.19228
_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 0.00000 0.00000 0.50000 1.00000
Mg2 Mg 0.50000 0.50000 0.00000 1.00000
Mg3 Mg 0.50805 0.80484 0.34258 1.00000
Mg4 Mg 0.19516 0.49195 0.65742 1.00000
Mg5 Mg 0.69516 0.99195 0.84258 1.00000
Mg6 Mg 0.00805 0.30484 0.15742 1.00000
Mg7 Mg 0.49195 0.19516 0.65742 1.00000
Mg8 Mg 0.80484 0.50805 0.34258 1.00000
Mg9 Mg 0.30484 0.00805 0.15742 1.00000
Mg10 Mg 0.99195 0.69516 0.84258 1.00000
Sb1 Sb 0.79973 0.20027 0.50000 1.00000
Sb2 Sb 0.29973 0.70027 0.00000 1.00000
Sb3 Sb 0.20027 0.79973 0.50000 1.00000
Sb4 Sb 0.70027 0.29973 0.00000 1.00000
Pb1 Pb 0.86288 0.86288 0.14764 1.00000
Pb2 Pb 0.13712 0.13712 0.85236 1.00000
Pb3 Pb 0.63712 0.63712 0.64764 1.00000
Pb4 Pb 0.36288 0.36288 0.35236 1.00000
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