Sc3Co2Sn7
Alexandria ALEXAlex-ID: agm002238554 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_13_spg10
ScCoSn Sc6Sn5 Sc5(CoSn3)6
2018-07-22 20:50:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002238554).
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 agm002238554
data_agm002238554
_cell_length_a 4.36080
_cell_length_b 4.57429
_cell_length_c 13.51707
_cell_angle_alpha 80.29091
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 265.77043
_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
Sc1 Sc 0.50000 0.50000 0.00000 1.00000
Sc2 Sc 0.00000 0.18601 0.63148 1.00000
Sc3 Sc 0.00000 0.81399 0.36852 1.00000
Co1 Co 0.50000 0.62837 0.74274 1.00000
Co2 Co 0.50000 0.37163 0.25726 1.00000
Sn1 Sn 0.50000 0.71872 0.56239 1.00000
Sn2 Sn 0.50000 0.28128 0.43761 1.00000
Sn3 Sn 0.00000 0.58739 0.82599 1.00000
Sn4 Sn 0.00000 0.00000 0.00000 1.00000
Sn5 Sn 0.00000 0.41261 0.17401 1.00000
Sn6 Sn 0.50000 0.90755 0.18494 1.00000
Sn7 Sn 0.50000 0.09245 0.81506 1.00000
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