Sr2Ta
Alexandria ALEXAlex-ID: agm005476989 · 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
AB2_2147_spg12
Ta Sr
2023-03-21 23:38:13.428921
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005476989).
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 agm005476989
data_agm005476989
_cell_length_a 6.54293
_cell_length_b 6.54293
_cell_length_c 10.22847
_cell_angle_alpha 69.85226
_cell_angle_beta 69.85226
_cell_angle_gamma 32.15542
_cell_volume 217.56006
_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
Sr1 Sr 0.98853 0.98853 0.68199 1.00000
Sr2 Sr 0.33260 0.33260 0.12075 1.00000
Sr3 Sr 0.66740 0.66740 0.87925 1.00000
Sr4 Sr 0.01147 0.01147 0.31801 1.00000
Ta1 Ta 0.71264 0.71264 0.43346 1.00000
Ta2 Ta 0.28736 0.28736 0.56654 1.00000
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