Ho6SnSb5
Alexandria ALEXAlex-ID: agm006122012 · 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
HoSn HoSb
2023-09-08 14:44:43.572346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006122012).
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 agm006122012
data_agm006122012
_cell_length_a 7.56885
_cell_length_b 7.56337
_cell_length_c 7.57329
_cell_angle_alpha 60.04332
_cell_angle_beta 80.39172
_cell_angle_gamma 70.47243
_cell_volume 354.01574
_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
Sb1 Sb 0.50000 0.16728 0.66543 1.00000
Sb2 Sb 0.00000 0.33357 0.33287 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 1.00000 0.66643 0.66713 1.00000
Sb5 Sb 0.50000 0.83272 0.33457 1.00000
Ho1 Ho 0.75055 0.08296 0.33414 1.00000
Ho2 Ho 0.24945 0.58290 0.33414 1.00000
Ho3 Ho 0.25037 0.25040 1.00000 1.00000
Ho4 Ho 0.74963 0.74960 0.00000 1.00000
Ho5 Ho 0.75055 0.41710 0.66586 1.00000
Ho6 Ho 0.24945 0.91704 0.66586 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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