TaSb2
Alexandria ALEXAlex-ID: agm005447556 · 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_2455_spg12
TaSb2
2023-03-21 19:30:28.417891
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005447556).
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 agm005447556
data_agm005447556
_cell_length_a 6.35057
_cell_length_b 6.35057
_cell_length_c 8.49807
_cell_angle_alpha 75.80209
_cell_angle_beta 75.80209
_cell_angle_gamma 27.85410
_cell_volume 154.93160
_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
Ta1 Ta 0.36055 0.36055 0.50930 1.00000
Ta2 Ta 0.63945 0.63945 0.49070 1.00000
Sb1 Sb 0.71690 0.71690 0.78520 1.00000
Sb2 Sb 0.02237 0.02237 0.25817 1.00000
Sb3 Sb 0.97763 0.97763 0.74183 1.00000
Sb4 Sb 0.28310 0.28310 0.21480 1.00000
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