PrHo7Tm4
Alexandria ALEXAlex-ID: agm003670188 · 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_85_spg12
PrHo8 Pr2Ho7 HoTm5
2022-04-20 13:36:27.974400
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003670188).
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 agm003670188
data_agm003670188
_cell_length_a 5.82757
_cell_length_b 11.43255
_cell_length_c 6.67321
_cell_angle_alpha 82.98558
_cell_angle_beta 64.11034
_cell_angle_gamma 75.23425
_cell_volume 386.73619
_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 0.78911 0.92190 0.49988 1.00000
Ho2 Ho 0.21089 0.07810 0.50012 1.00000
Ho3 Ho 0.05782 0.66792 0.21643 1.00000
Ho4 Ho 0.94218 0.33208 0.78357 1.00000
Ho5 Ho 0.36500 0.50504 0.76497 1.00000
Ho6 Ho 0.50000 0.00000 0.00000 1.00000
Ho7 Ho 0.63500 0.49496 0.23503 1.00000
Tm1 Tm 0.63038 0.22599 0.51326 1.00000
Tm2 Tm 0.36962 0.77401 0.48674 1.00000
Tm3 Tm 0.74728 0.68504 0.82041 1.00000
Tm4 Tm 0.25272 0.31496 0.17959 1.00000
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