Na2Sr7Tl3
Alexandria ALEXAlex-ID: agm101673259 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_696_spg8
Sr2Tl Sr8Tl3 Na
2025-05-17 04:08:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101673259).
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 agm101673259
data_agm101673259
_cell_length_a 7.00834
_cell_length_b 6.90366
_cell_length_c 12.28523
_cell_angle_alpha 82.32329
_cell_angle_beta 73.78113
_cell_angle_gamma 63.00628
_cell_volume 508.54773
_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 0.51081 0.86583 0.04135 1.00000
Na2 Na 0.04683 0.36388 0.96809 1.00000
Sr1 Sr 0.75414 0.37750 0.52820 1.00000
Sr2 Sr 0.08250 0.56576 0.21912 1.00000
Sr3 Sr 0.32763 0.88030 0.37540 1.00000
Sr4 Sr 0.72780 0.19568 0.21919 1.00000
Sr5 Sr 0.99805 0.70970 0.69930 1.00000
Sr6 Sr 0.58519 0.37279 0.87751 1.00000
Sr7 Sr 0.34529 0.03907 0.69801 1.00000
Tl1 Tl 0.04627 0.87221 0.95477 1.00000
Tl2 Tl 0.78751 0.87838 0.46103 1.00000
Tl3 Tl 0.28797 0.37891 0.45803 1.00000
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