Na2Sr3Pb4
Alexandria ALEXAlex-ID: agm005646458 · 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
A2B3C4_773_spg12
Na5Pb2 SrPb NaPb
2023-06-27 10:54:31.224011
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646458).
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 agm005646458
data_agm005646458
_cell_length_a 5.77949
_cell_length_b 5.78209
_cell_length_c 10.61256
_cell_angle_alpha 94.95613
_cell_angle_beta 89.99978
_cell_angle_gamma 119.98526
_cell_volume 305.64554
_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
Na1 Na 0.71144 0.42287 0.41260 1.00000
Na2 Na 0.28856 0.57713 0.58740 1.00000
Sr1 Sr 0.63875 0.27751 0.76024 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Sr3 Sr 0.36125 0.72249 0.23976 1.00000
Pb1 Pb 0.67514 0.35027 0.10111 1.00000
Pb2 Pb 0.32486 0.64973 0.89889 1.00000
Pb3 Pb 0.95652 0.91305 0.64621 1.00000
Pb4 Pb 0.04348 0.08695 0.35379 1.00000
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