NaTlAg
Alexandria ALEXAlex-ID: agm005603554 · 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
ABC_222_spg69
NaTl2 NaAg2
2023-06-17 21:52:49.353119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603554).
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 agm005603554
data_agm005603554
_cell_length_a 5.71881
_cell_length_b 5.96853
_cell_length_c 7.30346
_cell_angle_alpha 130.32337
_cell_angle_beta 126.72725
_cell_angle_gamma 74.56846
_cell_volume 149.31966
_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 0.06280 0.75418 0.73921 1.00000
Na2 Na 0.38136 0.43520 0.40782 1.00000
Tl1 Tl 0.56903 0.24295 0.91616 1.00000
Tl2 Tl 0.87560 0.94687 0.23129 1.00000
Ag1 Ag 0.97107 0.34479 0.82383 1.00000
Ag2 Ag 0.47354 0.84475 0.32348 1.00000
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