Ho4Sb2N
Alexandria ALEXAlex-ID: agm003463643 · 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
AB2C4_1034_spg12
Ho5Sb3 HoSb HoN
2022-02-18 09:03:31.398225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003463643).
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 agm003463643
data_agm003463643
_cell_length_a 3.81634
_cell_length_b 8.11385
_cell_length_c 7.98441
_cell_angle_alpha 133.80328
_cell_angle_beta 103.82675
_cell_angle_gamma 90.00000
_cell_volume 168.37038
_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
Ho1 Ho 0.94204 0.20771 0.88409 1.00000
Ho2 Ho 0.05796 0.79229 0.11591 1.00000
Ho3 Ho 0.63988 0.22896 0.27977 1.00000
Ho4 Ho 0.36012 0.77104 0.72023 1.00000
Sb1 Sb 0.66033 0.64132 0.32067 1.00000
Sb2 Sb 0.33967 0.35868 0.67933 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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