Th5(CdTc)2
Alexandria ALEXAlex-ID: agm005563007 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_722_spg69
ThCd2 Th7Tc3 ThTc2
2023-06-03 10:52:59.025873
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005563007).
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 agm005563007
data_agm005563007
_cell_length_a 5.77245
_cell_length_b 5.77245
_cell_length_c 8.54002
_cell_angle_alpha 110.33107
_cell_angle_beta 110.33108
_cell_angle_gamma 88.39263
_cell_volume 248.81799
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.37248 0.87248 0.74496 1.00000
Th3 Th 0.87248 0.37248 0.74496 1.00000
Th4 Th 0.62752 0.12752 0.25504 1.00000
Th5 Th 0.12752 0.62752 0.25504 1.00000
Cd1 Cd 0.75085 0.75085 0.50169 1.00000
Cd2 Cd 0.24915 0.24915 0.49831 1.00000
Tc1 Tc 0.66968 0.33032 1.00000 1.00000
Tc2 Tc 0.33032 0.66968 0.00000 1.00000
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