Mg2In3Pb2
Alexandria ALEXAlex-ID: agm010061133 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_129_spg65
MgIn6 Mg4In3 Pb
2024-03-06 16:54:58.629686
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010061133).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010061133
data_agm010061133
_cell_length_a 3.45693
_cell_length_b 3.45693
_cell_length_c 15.79488
_cell_angle_alpha 83.25166
_cell_angle_beta 83.25166
_cell_angle_gamma 89.05673
_cell_volume 186.14797
_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 0.13728 0.13728 0.72411 1.00000
Mg2 Mg 0.86272 0.86272 0.27589 1.00000
In1 In 0.56814 0.56814 0.85264 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.43186 0.43186 0.14736 1.00000
Pb1 Pb 0.28583 0.28583 0.41566 1.00000
Pb2 Pb 0.71417 0.71417 0.58434 1.00000
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