Pr3Y5Tm4
Alexandria ALEXAlex-ID: agm005694563 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
PrY2 YTm2 Pr
2023-06-29 14:33:55.615177
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694563).
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 agm005694563
data_agm005694563
_cell_length_a 7.15515
_cell_length_b 11.31368
_cell_length_c 12.89698
_cell_angle_alpha 151.27915
_cell_angle_beta 56.42374
_cell_angle_gamma 129.21783
_cell_volume 388.68645
_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 0.58717 0.16917 0.33458 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.41283 0.83083 0.66542 1.00000
Y1 Y 0.33407 0.66805 0.83395 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74820 0.50188 0.00156 1.00000
Y4 Y 0.25180 0.49812 0.99844 1.00000
Y5 Y 0.66593 0.33195 0.16605 1.00000
Tm1 Tm 0.91862 0.83505 0.66871 1.00000
Tm2 Tm 0.83508 0.66932 0.83457 1.00000
Tm3 Tm 0.16492 0.33068 0.16543 1.00000
Tm4 Tm 0.08138 0.16495 0.33129 1.00000
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