Tb13Sm5
Alexandria ALEXAlex-ID: agm062353045 · 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
A5B13_10_spg65
Tb5Sm Tb2Sm
2025-02-03 05:29:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062353045).
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 agm062353045
data_agm062353045
_cell_length_a 6.21370
_cell_length_b 6.21370
_cell_length_c 17.53127
_cell_angle_alpha 86.62406
_cell_angle_beta 93.37594
_cell_angle_gamma 60.01924
_cell_volume 582.23381
_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 0.77741 0.22259 0.33286 1.00000
Tb2 Tb 0.22259 0.77741 0.66714 1.00000
Tb3 Tb 0.61060 0.38940 0.83205 1.00000
Tb4 Tb 0.38940 0.61060 0.16795 1.00000
Tb5 Tb 0.94353 0.72338 0.83206 1.00000
Tb6 Tb 0.72338 0.94353 0.16794 1.00000
Tb7 Tb 0.27662 0.05647 0.83206 1.00000
Tb8 Tb 0.05647 0.27662 0.16794 1.00000
Tb9 Tb 0.88906 0.44445 0.66717 1.00000
Tb10 Tb 0.55555 0.11094 0.66717 1.00000
Tb11 Tb 0.44445 0.88906 0.33283 1.00000
Tb12 Tb 0.11094 0.55555 0.33283 1.00000
Tb13 Tb 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.83333 0.83333 0.50000 1.00000
Sm3 Sm 0.16667 0.16667 0.50000 1.00000
Sm4 Sm 0.33336 0.33336 0.00000 1.00000
Sm5 Sm 0.66664 0.66664 0.00000 1.00000
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