Tb(As3Ru)4
Alexandria ALEXAlex-ID: agm006010367 · 空间群: Im-3 (#204)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_67_spg204
As2Ru TbAs As
2023-08-07 15:47:36.884488
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010367).
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 agm006010367
data_agm006010367
_cell_length_a 7.43452
_cell_length_b 7.43451
_cell_length_c 7.43451
_cell_angle_alpha 109.47121
_cell_angle_beta 109.47133
_cell_angle_gamma 109.47129
_cell_volume 316.32584
_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
Tb1 Tb 0.00000 1.00000 1.00000 1.00000
As1 As 0.85062 0.34838 0.19900 1.00000
As2 As 0.34838 0.49776 0.14938 1.00000
As3 As 0.80100 0.14938 0.65162 1.00000
As4 As 0.34838 0.19900 0.85062 1.00000
As5 As 0.19900 0.85062 0.34838 1.00000
As6 As 0.65162 0.50224 0.85062 1.00000
As7 As 0.49776 0.14938 0.34838 1.00000
As8 As 0.50224 0.85062 0.65162 1.00000
As9 As 0.65162 0.80100 0.14938 1.00000
As10 As 0.85062 0.65162 0.50224 1.00000
As11 As 0.14938 0.34838 0.49776 1.00000
As12 As 0.14938 0.65162 0.80100 1.00000
Ru1 Ru 0.00000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.00000 0.00000 1.00000
Ru3 Ru 0.50000 0.50000 0.50000 1.00000
Ru4 Ru 0.00000 0.00000 0.50000 1.00000
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