Li3(MgPb)4
Alexandria ALEXAlex-ID: agm005709356 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Mg2Pb LiMgPb2 LiMgPb
2023-07-02 00:46:34.880228
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709356).
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 agm005709356
data_agm005709356
_cell_length_a 3.53746
_cell_length_b 4.24986
_cell_length_c 17.56746
_cell_angle_alpha 96.85392
_cell_angle_beta 95.92991
_cell_angle_gamma 89.95313
_cell_volume 260.79560
_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
Li1 Li 0.63842 0.63770 0.27770 1.00000
Li2 Li 0.36156 0.36232 0.72230 1.00000
Li3 Li 0.00000 0.00001 0.99999 1.00000
Mg1 Mg 0.09153 0.09061 0.18514 1.00000
Mg2 Mg 0.27362 0.27336 0.54723 1.00000
Mg3 Mg 0.72631 0.72670 0.45278 1.00000
Mg4 Mg 0.90846 0.90940 0.81485 1.00000
Pb1 Pb 0.54862 0.54897 0.09883 1.00000
Pb2 Pb 0.45138 0.45104 0.90116 1.00000
Pb3 Pb 0.81778 0.81697 0.63462 1.00000
Pb4 Pb 0.18217 0.18306 0.36538 1.00000
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