Tb4Sm7Er
Alexandria ALEXAlex-ID: agm003670109 · 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_93_spg12
Tb4SmEr Sm
2022-04-20 15:18:45.158285
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003670109).
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 agm003670109
data_agm003670109
_cell_length_a 5.96024
_cell_length_b 9.75087
_cell_length_c 8.60381
_cell_angle_alpha 60.73621
_cell_angle_beta 69.73443
_cell_angle_gamma 72.20418
_cell_volume 403.49788
_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 0.57292 0.30154 0.55262 1.00000
Tb2 Tb 0.42708 0.69846 0.44738 1.00000
Tb3 Tb 0.67318 0.61092 0.04272 1.00000
Tb4 Tb 0.32682 0.38908 0.95728 1.00000
Sm1 Sm 0.78920 0.87893 0.54267 1.00000
Sm2 Sm 0.21080 0.12107 0.45733 1.00000
Sm3 Sm 0.08205 0.55888 0.27702 1.00000
Sm4 Sm 0.91795 0.44112 0.72298 1.00000
Sm5 Sm 0.20816 0.77085 0.81283 1.00000
Sm6 Sm 0.50000 0.00000 0.00000 1.00000
Sm7 Sm 0.79184 0.22915 0.18717 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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