Tb7SmSc4
Alexandria ALEXAlex-ID: agm003668024 · 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
AB4C7_86_spg12
Tb5Sm Tb Sc
2022-04-20 14:15:40.381202
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668024).
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 agm003668024
data_agm003668024
_cell_length_a 5.75147
_cell_length_b 9.12953
_cell_length_c 8.24636
_cell_angle_alpha 65.43820
_cell_angle_beta 69.59046
_cell_angle_gamma 71.63962
_cell_volume 361.68067
_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 0.78820 0.88354 0.54006 1.00000
Tb2 Tb 0.21180 0.11646 0.45994 1.00000
Tb3 Tb 0.08973 0.54856 0.27199 1.00000
Tb4 Tb 0.91027 0.45144 0.72801 1.00000
Tb5 Tb 0.23688 0.72768 0.79855 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.76312 0.27232 0.20145 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.55739 0.30004 0.58518 1.00000
Sc2 Sc 0.44261 0.69996 0.41482 1.00000
Sc3 Sc 0.66504 0.64711 0.02280 1.00000
Sc4 Sc 0.33496 0.35289 0.97720 1.00000
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