Ba2Pr2Ho5
Alexandria ALEXAlex-ID: agm012235280 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_248_spg12
Pr2Ho7 Ba Pr
2024-06-24 11:49:04.513115
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012235280).
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 agm012235280
data_agm012235280
_cell_length_a 3.65036
_cell_length_b 9.19694
_cell_length_c 10.07011
_cell_angle_alpha 77.30177
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 329.80643
_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
Ba1 Ba 0.50000 0.50945 0.81829 1.00000
Ba2 Ba 0.50000 0.49055 0.18171 1.00000
Pr1 Pr 0.00000 0.84205 0.60344 1.00000
Pr2 Pr 0.00000 0.15795 0.39656 1.00000
Ho1 Ho 0.50000 0.86495 0.27410 1.00000
Ho2 Ho 0.50000 0.13505 0.72590 1.00000
Ho3 Ho 0.00000 0.84170 0.95667 1.00000
Ho4 Ho 0.00000 0.15830 0.04333 1.00000
Ho5 Ho 0.00000 0.50000 0.50000 1.00000
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