Sm6BiSb5
Alexandria ALEXAlex-ID: agm003678070 · 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
AB5C6_83_spg12
Sm4BiSb3 SmSb
2022-04-10 01:57:12.909527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678070).
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 agm003678070
data_agm003678070
_cell_length_a 7.76886
_cell_length_b 7.77004
_cell_length_c 7.76976
_cell_angle_alpha 59.99880
_cell_angle_beta 80.39670
_cell_angle_gamma 70.51020
_cell_volume 382.90148
_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
Sm1 Sm 0.74769 0.08420 0.33697 1.00000
Sm2 Sm 0.25231 0.57884 0.33697 1.00000
Sm3 Sm 0.25109 0.25343 1.00000 1.00000
Sm4 Sm 0.74891 0.74657 0.00000 1.00000
Sm5 Sm 0.74769 0.42116 0.66303 1.00000
Sm6 Sm 0.25231 0.91580 0.66303 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.16539 0.66923 1.00000
Sb2 Sb 1.00000 0.33306 0.33389 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 0.00000 0.66694 0.66611 1.00000
Sb5 Sb 0.50000 0.83461 0.33077 1.00000
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