Na3(AgSb2)2
Alexandria ALEXAlex-ID: agm005607952 · 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_272_spg12
NaAgSb Na2AgSb Sb
2023-06-27 11:05:20.276175
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607952).
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 agm005607952
data_agm005607952
_cell_length_a 4.97897
_cell_length_b 5.96714
_cell_length_c 9.76381
_cell_angle_alpha 72.08237
_cell_angle_beta 75.22819
_cell_angle_gamma 65.34214
_cell_volume 248.14333
_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 0.31629 0.74303 0.62438 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.68371 0.25697 0.37562 1.00000
Ag1 Ag 0.41643 0.90438 0.26276 1.00000
Ag2 Ag 0.58357 0.09562 0.73724 1.00000
Sb1 Sb 0.25750 0.40275 0.08226 1.00000
Sb2 Sb 0.74250 0.59725 0.91774 1.00000
Sb3 Sb 0.00283 0.33677 0.65757 1.00000
Sb4 Sb 0.99717 0.66323 0.34243 1.00000
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