Na2Pb3S4
Alexandria ALEXAlex-ID: agm005657080 · 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_572_spg12
Na2S PbS
2023-06-27 10:53:44.008486
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657080).
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 agm005657080
data_agm005657080
_cell_length_a 4.27249
_cell_length_b 7.41049
_cell_length_c 8.85108
_cell_angle_alpha 82.76370
_cell_angle_beta 76.03354
_cell_angle_gamma 73.24540
_cell_volume 259.92673
_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 0.63374 0.09741 0.63512 1.00000
Na2 Na 0.36626 0.90259 0.36488 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.19184 0.41247 0.20384 1.00000
Pb3 Pb 0.80816 0.58753 0.79616 1.00000
S1 S 0.76462 0.15742 0.31333 1.00000
S2 S 0.23538 0.84258 0.68667 1.00000
S3 S 0.40131 0.28753 0.90984 1.00000
S4 S 0.59869 0.71247 0.09016 1.00000
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