Pm5Pr3Y4
Alexandria ALEXAlex-ID: agm005694604 · 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
Pm3PrY4 PmPr3Y4 Pm2Pr
2023-06-29 14:04:24.642801
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694604).
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 agm005694604
data_agm005694604
_cell_length_a 7.27303
_cell_length_b 11.51156
_cell_length_c 13.12642
_cell_angle_alpha 151.27382
_cell_angle_beta 56.32207
_cell_angle_gamma 129.22703
_cell_volume 409.17101
_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
Pm1 Pm 0.33468 0.66857 0.83431 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Pm3 Pm 0.74811 0.50029 0.00049 1.00000
Pm4 Pm 0.25189 0.49971 0.99951 1.00000
Pm5 Pm 0.66532 0.33143 0.16569 1.00000
Pr1 Pr 0.58505 0.16779 0.33342 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.41495 0.83221 0.66658 1.00000
Y1 Y 0.91753 0.83323 0.66760 1.00000
Y2 Y 0.83435 0.66773 0.83363 1.00000
Y3 Y 0.16565 0.33227 0.16637 1.00000
Y4 Y 0.08247 0.16677 0.33240 1.00000
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