Tb2SmCu2
Alexandria ALEXAlex-ID: agm003399323 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1424_spg11
Sm TbCu
2022-02-10 06:48:01.110241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003399323).
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 agm003399323
data_agm003399323
_cell_length_a 4.66544
_cell_length_b 5.00606
_cell_length_c 10.79282
_cell_angle_alpha 97.12161
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 250.12677
_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 0.25000 0.84486 0.88555 1.00000
Tb2 Tb 0.75000 0.15514 0.11445 1.00000
Tb3 Tb 0.25000 0.25143 0.50592 1.00000
Tb4 Tb 0.75000 0.74857 0.49408 1.00000
Sm1 Sm 0.25000 0.69151 0.24222 1.00000
Sm2 Sm 0.75000 0.30849 0.75778 1.00000
Cu1 Cu 0.25000 0.78649 0.63402 1.00000
Cu2 Cu 0.75000 0.21351 0.36598 1.00000
Cu3 Cu 0.25000 0.37775 0.99427 1.00000
Cu4 Cu 0.75000 0.62225 0.00573 1.00000
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