PrHo7Sc4
Alexandria ALEXAlex-ID: agm003668036 · 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
AB4C7_86_spg12
Pr2Ho7 PrHo8 Sc
2022-04-20 14:36:25.565637
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668036).
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 agm003668036
data_agm003668036
_cell_length_a 5.73280
_cell_length_b 9.10402
_cell_length_c 8.21225
_cell_angle_alpha 65.55381
_cell_angle_beta 69.57142
_cell_angle_gamma 71.64825
_cell_volume 358.27676
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.78740 0.88292 0.54228 1.00000
Ho2 Ho 0.21260 0.11708 0.45772 1.00000
Ho3 Ho 0.08997 0.54782 0.27225 1.00000
Ho4 Ho 0.91003 0.45218 0.72775 1.00000
Ho5 Ho 0.23744 0.72747 0.79765 1.00000
Ho6 Ho 0.50000 0.00000 0.00000 1.00000
Ho7 Ho 0.76256 0.27253 0.20235 1.00000
Sc1 Sc 0.55711 0.30016 0.58561 1.00000
Sc2 Sc 0.44289 0.69984 0.41439 1.00000
Sc3 Sc 0.66607 0.64551 0.02236 1.00000
Sc4 Sc 0.33393 0.35449 0.97764 1.00000
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