TmScSn2
Alexandria ALEXAlex-ID: agm005689293 · 空间群: P2/c (#13)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7718_spg13
Tm2Sc3Sn4 TmSn2
2023-07-13 11:39:09.177720
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689293).
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 agm005689293
data_agm005689293
_cell_length_a 6.05369
_cell_length_b 6.05912
_cell_length_c 11.48764
_cell_angle_alpha 90.00000
_cell_angle_beta 105.64347
_cell_angle_gamma 89.99996
_cell_volume 405.75843
_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
Tm1 Tm 0.55850 0.87431 0.36632 1.00000
Tm2 Tm 0.44150 0.12569 0.63368 1.00000
Tm3 Tm 0.94150 0.87431 0.13368 1.00000
Tm4 Tm 0.05850 0.12569 0.86632 1.00000
Sc1 Sc 0.94400 0.62661 0.62872 1.00000
Sc2 Sc 0.05600 0.37339 0.37128 1.00000
Sc3 Sc 0.55600 0.62661 0.87128 1.00000
Sc4 Sc 0.44400 0.37339 0.12872 1.00000
Sn1 Sn 0.93032 0.37586 0.10165 1.00000
Sn2 Sn 0.06968 0.62414 0.89835 1.00000
Sn3 Sn 0.56968 0.37586 0.39835 1.00000
Sn4 Sn 0.43032 0.62414 0.60165 1.00000
Sn5 Sn 0.57926 0.12989 0.90730 1.00000
Sn6 Sn 0.42074 0.87011 0.09270 1.00000
Sn7 Sn 0.92074 0.12989 0.59270 1.00000
Sn8 Sn 0.07926 0.87011 0.40730 1.00000
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