Tb3SmCd4
Alexandria ALEXAlex-ID: agm063045015 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
TbSmCd2 TbCd
2024-11-09 14:44:49.449065
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063045015).
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 agm063045015
data_agm063045015
_cell_length_a 8.45448
_cell_length_b 8.45448
_cell_length_c 8.45448
_cell_angle_alpha 143.28236
_cell_angle_beta 143.28236
_cell_angle_gamma 52.90178
_cell_volume 214.69789
_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 0.00000 0.00000 1.00000
Tb2 Tb 0.75156 0.75156 0.00000 1.00000
Tb3 Tb 0.24844 0.24844 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.37313 0.87313 0.50000 1.00000
Cd2 Cd 0.62687 0.12687 0.50000 1.00000
Cd3 Cd 0.12687 0.62687 0.50000 1.00000
Cd4 Cd 0.87313 0.37313 0.50000 1.00000
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