LaPr5Ho12
Alexandria ALEXAlex-ID: agm063510751 · 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
AB5C12_2_spg12
Pr2Ho7 Pr LaHo2
2024-12-31 10:24:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063510751).
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
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# CIF generated by HEAS from Alexandria entry agm063510751
data_agm063510751
_cell_length_a 6.27016
_cell_length_b 6.27016
_cell_length_c 17.43014
_cell_angle_alpha 86.58107
_cell_angle_beta 93.41893
_cell_angle_gamma 59.96843
_cell_volume 589.02743
_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
La1 La 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.16669 0.16669 0.00000 1.00000
Pr3 Pr 0.83331 0.83331 0.00000 1.00000
Pr4 Pr 0.66669 0.66669 0.50000 1.00000
Pr5 Pr 0.33331 0.33331 0.50000 1.00000
Ho1 Ho 0.11040 0.88960 0.83088 1.00000
Ho2 Ho 0.88960 0.11040 0.16912 1.00000
Ho3 Ho 0.39048 0.60952 0.66912 1.00000
Ho4 Ho 0.60952 0.39048 0.33088 1.00000
Ho5 Ho 0.05678 0.27689 0.66912 1.00000
Ho6 Ho 0.27689 0.05678 0.33088 1.00000
Ho7 Ho 0.72311 0.94322 0.66912 1.00000
Ho8 Ho 0.94322 0.72311 0.33088 1.00000
Ho9 Ho 0.22283 0.44387 0.16896 1.00000
Ho10 Ho 0.55613 0.77717 0.16896 1.00000
Ho11 Ho 0.44387 0.22283 0.83104 1.00000
Ho12 Ho 0.77717 0.55613 0.83104 1.00000
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