Ho3Sc7Os4
Alexandria ALEXAlex-ID: agm005703932 · 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
A3B4C7_35_spg12
HoScOs Sc11Os4 Ho3Os
2023-06-29 17:25:15.478666
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703932).
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 agm005703932
data_agm005703932
_cell_length_a 4.12060
_cell_length_b 8.58715
_cell_length_c 9.62571
_cell_angle_alpha 71.09388
_cell_angle_beta 77.64072
_cell_angle_gamma 76.11769
_cell_volume 309.34744
_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 0.30736 0.17818 0.20711 1.00000
Ho2 Ho 0.69264 0.82182 0.79289 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.31957 0.84473 0.51614 1.00000
Sc2 Sc 0.48943 0.24895 0.77219 1.00000
Sc3 Sc 0.83136 0.41405 0.92323 1.00000
Sc4 Sc 0.68043 0.15527 0.48386 1.00000
Sc5 Sc 0.16864 0.58595 0.07677 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.51057 0.75105 0.22781 1.00000
Os1 Os 0.67548 0.41960 0.22945 1.00000
Os2 Os 0.32452 0.58040 0.77055 1.00000
Os3 Os 0.88877 0.90576 0.31669 1.00000
Os4 Os 0.11122 0.09424 0.68331 1.00000
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