Na2In3Pb2
Alexandria ALEXAlex-ID: agm005551007 · 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
A2B2C3_196_spg12
NaIn2 NaPb3 In
2023-06-09 10:21:38.113117
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005551007).
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 agm005551007
data_agm005551007
_cell_length_a 4.76527
_cell_length_b 7.82000
_cell_length_c 5.82369
_cell_angle_alpha 81.87611
_cell_angle_beta 114.15005
_cell_angle_gamma 90.00000
_cell_volume 195.63318
_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 0.43099 0.22277 0.86198 1.00000
Na2 Na 0.56901 0.77723 0.13802 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
In2 In 0.71503 0.36621 0.43006 1.00000
In3 In 0.28497 0.63379 0.56994 1.00000
Pb1 Pb 0.14737 0.07057 0.29475 1.00000
Pb2 Pb 0.85263 0.92943 0.70525 1.00000
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