Pm3PrAl
Alexandria ALEXAlex-ID: agm005818924 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1382_spg12
Pm2Pr PmAl
2023-07-07 13:04:58.475851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005818924).
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 agm005818924
data_agm005818924
_cell_length_a 3.78263
_cell_length_b 8.74379
_cell_length_c 9.95616
_cell_angle_alpha 103.49341
_cell_angle_beta 100.95653
_cell_angle_gamma 90.01811
_cell_volume 314.02425
_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 0.61294 0.92670 0.48271 1.00000
Pm2 Pm 0.21755 0.29792 0.69261 1.00000
Pm3 Pm 0.41707 0.40781 0.08962 1.00000
Pm4 Pm 0.23096 0.72877 0.71801 1.00000
Pm5 Pm 0.41342 0.81683 0.08573 1.00000
Pm6 Pm 0.59954 0.49589 0.45735 1.00000
Pr1 Pr 0.81994 0.06963 0.89442 1.00000
Pr2 Pr 0.01057 0.15500 0.28094 1.00000
Al1 Al 0.01480 0.67585 0.28699 1.00000
Al2 Al 0.81570 0.54876 0.88834 1.00000
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