Pr12Ho7Sc
Alexandria ALEXAlex-ID: agm005778697 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_35_spg166
Pr2Ho7 Pr Sc
2023-07-16 09:43:49.949172
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778697).
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 agm005778697
data_agm005778697
_cell_length_a 6.25088
_cell_length_b 11.54103
_cell_length_c 11.54103
_cell_angle_alpha 116.81477
_cell_angle_beta 100.40125
_cell_angle_gamma 100.40125
_cell_volume 697.54027
_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 0.08678 0.58799 0.17567 1.00000
Pr2 Pr 0.08889 0.17567 0.58769 1.00000
Pr3 Pr 0.57743 0.64823 0.99926 1.00000
Pr4 Pr 0.42183 0.99926 0.35103 1.00000
Pr5 Pr 0.50120 0.41231 0.58799 1.00000
Pr6 Pr 0.07080 0.64897 0.64823 1.00000
Pr7 Pr 0.92920 0.35103 0.35177 1.00000
Pr8 Pr 0.49880 0.58769 0.41201 1.00000
Pr9 Pr 0.57817 0.00074 0.64897 1.00000
Pr10 Pr 0.42257 0.35177 0.00074 1.00000
Pr11 Pr 0.91111 0.82433 0.41231 1.00000
Pr12 Pr 0.91322 0.41201 0.82433 1.00000
Ho1 Ho 0.11714 0.75944 0.99938 1.00000
Ho2 Ho 0.88224 0.99938 0.23993 1.00000
Ho3 Ho 0.64231 0.76007 0.75944 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.35769 0.23993 0.24056 1.00000
Ho6 Ho 0.11776 0.00062 0.76007 1.00000
Ho7 Ho 0.88286 0.24056 0.00062 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
