Tb8SmGe6
Alexandria ALEXAlex-ID: agm072199875 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_0_spg148
Sm4Ge3 Tb4Ge3 Tb5Ge3
2024-10-06 08:10:00.024354
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072199875).
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}
}
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# CIF generated by HEAS from Alexandria entry agm072199875
data_agm072199875
_cell_length_a 7.02940
_cell_length_b 7.88591
_cell_length_c 7.95947
_cell_angle_alpha 67.94407
_cell_angle_beta 76.35455
_cell_angle_gamma 73.36968
_cell_volume 387.70492
_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 0.63891 0.88193 0.31080 1.00000
Tb2 Tb 0.36109 0.11807 0.68920 1.00000
Tb3 Tb 0.26393 0.57940 0.38872 1.00000
Tb4 Tb 0.63301 0.66673 0.97094 1.00000
Tb5 Tb 0.92593 0.22650 0.03065 1.00000
Tb6 Tb 0.73607 0.42060 0.61128 1.00000
Tb7 Tb 0.36699 0.33327 0.02906 1.00000
Tb8 Tb 0.07407 0.77350 0.96935 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Ge1 Ge 0.02314 0.55476 0.73779 1.00000
Ge2 Ge 0.59941 0.27503 0.33091 1.00000
Ge3 Ge 0.29576 0.94997 0.11356 1.00000
Ge4 Ge 0.97686 0.44524 0.26221 1.00000
Ge5 Ge 0.40059 0.72497 0.66909 1.00000
Ge6 Ge 0.70424 0.05003 0.88644 1.00000
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