Pr3YTm7
Alexandria ALEXAlex-ID: agm005973809 · 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
AB3C7_251_spg2
YTm7 Pr
2023-08-13 00:36:10.649097
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005973809).
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 agm005973809
data_agm005973809
_cell_length_a 6.67821
_cell_length_b 8.56102
_cell_length_c 6.48855
_cell_angle_alpha 81.50673
_cell_angle_beta 95.03838
_cell_angle_gamma 80.57003
_cell_volume 359.54521
_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 0.06151 0.83586 0.19888 1.00000
Pr2 Pr 0.50000 0.00000 0.00000 1.00000
Pr3 Pr 0.93849 0.16414 0.80112 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.77624 0.21345 0.27909 1.00000
Tm2 Tm 0.70827 0.85474 0.56219 1.00000
Tm3 Tm 0.26710 0.42018 0.01224 1.00000
Tm4 Tm 0.73290 0.57982 0.98776 1.00000
Tm5 Tm 0.00000 0.50000 0.50000 1.00000
Tm6 Tm 0.29173 0.14526 0.43781 1.00000
Tm7 Tm 0.22376 0.78655 0.72091 1.00000
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