Tm5Sc2Sn5
Alexandria ALEXAlex-ID: agm003373789 · 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
A2B5C5_59_spg12
Tm4Sc2Sn5 Tm3Sc2Sn3 Tm5Sn4
2022-02-08 21:22:06.075635
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373789).
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 agm003373789
data_agm003373789
_cell_length_a 4.63202
_cell_length_b 6.56126
_cell_length_c 12.67156
_cell_angle_alpha 114.37203
_cell_angle_beta 90.00000
_cell_angle_gamma 110.66985
_cell_volume 323.38321
_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 0.50000 0.00000 0.50000 1.00000
Tm2 Tm 0.65756 0.31511 0.01307 1.00000
Tm3 Tm 0.67774 0.35548 0.29174 1.00000
Tm4 Tm 0.32226 0.64452 0.70826 1.00000
Tm5 Tm 0.34244 0.68489 0.98693 1.00000
Sc1 Sc 0.05186 0.10372 0.78642 1.00000
Sc2 Sc 0.94814 0.89628 0.21358 1.00000
Sn1 Sn 0.14431 0.28861 0.44503 1.00000
Sn2 Sn 0.69697 0.39394 0.78485 1.00000
Sn3 Sn 0.30303 0.60606 0.21515 1.00000
Sn4 Sn 0.85569 0.71139 0.55497 1.00000
Sn5 Sn 0.00000 0.00000 0.00000 1.00000
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