Na2SbPdPb
Alexandria ALEXAlex-ID: agm005010800 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1698_spg44
NaSbPd NaPdPb2 NaPb3 Na3Sb
2022-07-04 15:03:14.030760
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010800).
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 agm005010800
data_agm005010800
_cell_length_a 3.72759
_cell_length_b 4.78881
_cell_length_c 7.86736
_cell_angle_alpha 107.71885
_cell_angle_beta 103.70377
_cell_angle_gamma 90.00000
_cell_volume 129.57252
_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 0.26197 0.26197 0.52394 1.00000
Na2 Na 0.92624 0.92624 0.85248 1.00000
Sb1 Sb 0.69870 0.69870 0.39740 1.00000
Pd1 Pd 0.60137 0.10137 0.20274 1.00000
Pb1 Pb 0.49479 0.49479 0.98958 1.00000
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