Pr2Sm2Ho2Mg
Alexandria ALEXAlex-ID: agm017286639 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_117_spg119
PrSm4 PrSmHo4 Pr2SmMg3 Pr
2025-05-20 08:39:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017286639).
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}
}
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# CIF generated by HEAS from Alexandria entry agm017286639
data_agm017286639
_cell_length_a 16.96976
_cell_length_b 16.96976
_cell_length_c 16.96976
_cell_angle_alpha 167.58859
_cell_angle_beta 167.58859
_cell_angle_gamma 17.58705
_cell_volume 225.73042
_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 0.86569 0.86569 0.00000 1.00000
Pr2 Pr 0.13431 0.13431 0.00000 1.00000
Sm1 Sm 0.71233 0.71233 0.00000 1.00000
Sm2 Sm 0.28767 0.28767 0.00000 1.00000
Ho1 Ho 0.56014 0.56014 0.00000 1.00000
Ho2 Ho 0.43986 0.43986 0.00000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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