Th2CuSn2
Alexandria ALEXAlex-ID: agm005961470 · 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
AB2C2_497_spg12
ThCuSn Th3Cu3Sn4 Th5Sn4
2023-08-03 17:13:57.639472
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961470).
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 agm005961470
data_agm005961470
_cell_length_a 4.43620
_cell_length_b 6.18689
_cell_length_c 10.58829
_cell_angle_alpha 83.91519
_cell_angle_beta 77.90778
_cell_angle_gamma 68.99094
_cell_volume 265.11912
_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
Th1 Th 0.69178 0.27289 0.34356 1.00000
Th2 Th 0.90838 0.28568 0.89755 1.00000
Th3 Th 0.30822 0.72711 0.65644 1.00000
Th4 Th 0.09162 0.71432 0.10245 1.00000
Cu1 Cu 0.55114 0.19510 0.70263 1.00000
Cu2 Cu 0.44886 0.80490 0.29737 1.00000
Sn1 Sn 0.06542 0.28888 0.58027 1.00000
Sn2 Sn 0.64093 0.84329 0.87486 1.00000
Sn3 Sn 0.93458 0.71112 0.41973 1.00000
Sn4 Sn 0.35907 0.15671 0.12514 1.00000
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