Ho4SbRu
Alexandria ALEXAlex-ID: agm005802928 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_2635_spg62
Ho5Sb2Ru Ho3Ru
2023-07-31 05:50:20.712025
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802928).
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 agm005802928
data_agm005802928
_cell_length_a 4.12979
_cell_length_b 8.00746
_cell_length_c 18.92775
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 625.92437
_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 0.75000 0.86522 0.64253 1.00000
Ho2 Ho 0.25000 0.13478 0.35747 1.00000
Ho3 Ho 0.25000 0.63478 0.14253 1.00000
Ho4 Ho 0.75000 0.36522 0.85747 1.00000
Ho5 Ho 0.75000 0.85694 0.45021 1.00000
Ho6 Ho 0.25000 0.14306 0.54979 1.00000
Ho7 Ho 0.25000 0.64306 0.95021 1.00000
Ho8 Ho 0.75000 0.35694 0.04979 1.00000
Ho9 Ho 0.75000 0.99791 0.93318 1.00000
Ho10 Ho 0.25000 0.00209 0.06682 1.00000
Ho11 Ho 0.25000 0.50209 0.43318 1.00000
Ho12 Ho 0.75000 0.49791 0.56682 1.00000
Ho13 Ho 0.75000 0.95395 0.21422 1.00000
Ho14 Ho 0.25000 0.04605 0.78578 1.00000
Ho15 Ho 0.25000 0.54605 0.71422 1.00000
Ho16 Ho 0.75000 0.45395 0.28578 1.00000
Sb1 Sb 0.75000 0.74484 0.80799 1.00000
Sb2 Sb 0.25000 0.25516 0.19201 1.00000
Sb3 Sb 0.25000 0.75516 0.30799 1.00000
Sb4 Sb 0.75000 0.24484 0.69201 1.00000
Ru1 Ru 0.75000 0.25104 0.44739 1.00000
Ru2 Ru 0.25000 0.74896 0.55261 1.00000
Ru3 Ru 0.25000 0.24896 0.94739 1.00000
Ru4 Ru 0.75000 0.75104 0.05261 1.00000
