HoSc2Co3
Alexandria ALEXAlex-ID: agm012874296 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4717_spg14
Ho5Co2 ScCo2 ScCo
2025-04-14 07:08:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012874296).
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 agm012874296
data_agm012874296
_cell_length_a 5.52858
_cell_length_b 5.52858
_cell_length_c 13.48369
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.23785
_cell_volume 389.11799
_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 0.37200 0.62800 0.08331 1.00000
Ho2 Ho 0.87200 0.12800 0.41669 1.00000
Ho3 Ho 0.12800 0.87200 0.58331 1.00000
Ho4 Ho 0.62800 0.37200 0.91669 1.00000
Sc1 Sc 0.37550 0.62450 0.75128 1.00000
Sc2 Sc 0.87550 0.12450 0.74872 1.00000
Sc3 Sc 0.37792 0.62208 0.41432 1.00000
Sc4 Sc 0.87792 0.12208 0.08568 1.00000
Sc5 Sc 0.12208 0.87792 0.91432 1.00000
Sc6 Sc 0.62208 0.37792 0.58568 1.00000
Sc7 Sc 0.12450 0.87550 0.25128 1.00000
Sc8 Sc 0.62450 0.37550 0.24872 1.00000
Co1 Co 0.13168 0.37870 0.58682 1.00000
Co2 Co 0.63168 0.87870 0.91318 1.00000
Co3 Co 0.12130 0.36832 0.91318 1.00000
Co4 Co 0.62130 0.86832 0.58682 1.00000
Co5 Co 0.12413 0.37587 0.25000 1.00000
Co6 Co 0.62413 0.87587 0.25000 1.00000
Co7 Co 0.37587 0.12413 0.75000 1.00000
Co8 Co 0.87587 0.62413 0.75000 1.00000
Co9 Co 0.37870 0.13168 0.41318 1.00000
Co10 Co 0.87870 0.63168 0.08682 1.00000
Co11 Co 0.36832 0.12130 0.08682 1.00000
Co12 Co 0.86832 0.62130 0.41318 1.00000
