Ho9Sb5CO4
Alexandria ALEXAlex-ID: agm003245673 · 空间群: P4/n (#85)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5D9_2_spg85
Ho9Sb5CO4
2021-12-31 11:09:11.528665
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245673).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003245673
data_agm003245673
_cell_length_a 9.87463
_cell_length_b 9.87463
_cell_length_c 8.96941
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 874.59201
_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
C1 C 0.25000 0.25000 0.94101 1.00000
C2 C 0.75000 0.75000 0.05899 1.00000
Ho1 Ho 0.25000 0.25000 0.68878 1.00000
Ho2 Ho 0.75000 0.75000 0.31122 1.00000
Ho3 Ho 0.35537 0.95478 0.33706 1.00000
Ho4 Ho 0.14463 0.54522 0.33706 1.00000
Ho5 Ho 0.54522 0.35537 0.33706 1.00000
Ho6 Ho 0.95478 0.14463 0.33706 1.00000
Ho7 Ho 0.64463 0.04522 0.66294 1.00000
Ho8 Ho 0.85537 0.45478 0.66294 1.00000
Ho9 Ho 0.45478 0.64463 0.66294 1.00000
Ho10 Ho 0.04522 0.85537 0.66294 1.00000
Ho11 Ho 0.16993 0.02574 0.00351 1.00000
Ho12 Ho 0.33007 0.47426 0.00351 1.00000
Ho13 Ho 0.47426 0.16993 0.00351 1.00000
Ho14 Ho 0.02574 0.33007 0.00351 1.00000
Ho15 Ho 0.83007 0.97426 0.99649 1.00000
Ho16 Ho 0.66993 0.52574 0.99649 1.00000
Ho17 Ho 0.52574 0.83007 0.99649 1.00000
Ho18 Ho 0.97426 0.66993 0.99649 1.00000
O1 O 0.37157 0.97605 0.09315 1.00000
O2 O 0.12843 0.52395 0.09315 1.00000
O3 O 0.52395 0.37157 0.09315 1.00000
O4 O 0.97605 0.12843 0.09315 1.00000
O5 O 0.62843 0.02395 0.90685 1.00000
O6 O 0.87157 0.47605 0.90685 1.00000
O7 O 0.47605 0.62843 0.90685 1.00000
O8 O 0.02395 0.87157 0.90685 1.00000
Sb1 Sb 0.25000 0.25000 0.33073 1.00000
Sb2 Sb 0.75000 0.75000 0.66927 1.00000
Sb3 Sb 0.34657 0.94249 0.69301 1.00000
Sb4 Sb 0.15343 0.55751 0.69301 1.00000
Sb5 Sb 0.55751 0.34657 0.69301 1.00000
Sb6 Sb 0.94249 0.15343 0.69301 1.00000
Sb7 Sb 0.65343 0.05751 0.30699 1.00000
Sb8 Sb 0.84657 0.44249 0.30699 1.00000
Sb9 Sb 0.44249 0.65343 0.30699 1.00000
Sb10 Sb 0.05751 0.84657 0.30699 1.00000
