Tb3Tm(ThBi3)2
Alexandria ALEXAlex-ID: agm004622656 · 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
AB2C3D6_28_spg12
TbTm2ThBi4 Tb3ThBi4 Th2Bi Th3Bi4
2022-06-30 06:16:00.660686
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004622656).
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 agm004622656
data_agm004622656
_cell_length_a 4.52836
_cell_length_b 9.02974
_cell_length_c 10.10461
_cell_angle_alpha 102.89763
_cell_angle_beta 102.94842
_cell_angle_gamma 90.00000
_cell_volume 391.96668
_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 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.83202 0.16607 0.66405 1.00000
Tb3 Tb 0.16798 0.83393 0.33595 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.83539 0.66929 0.67077 1.00000
Th2 Th 0.16461 0.33071 0.32923 1.00000
Bi1 Bi 0.33519 0.92394 0.67038 1.00000
Bi2 Bi 0.66543 0.58761 0.33086 1.00000
Bi3 Bi 0.66481 0.07606 0.32962 1.00000
Bi4 Bi 0.99700 0.24528 0.99399 1.00000
Bi5 Bi 0.00300 0.75472 0.00601 1.00000
Bi6 Bi 0.33457 0.41239 0.66914 1.00000
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