Pm2Pr3Lu7
Alexandria ALEXAlex-ID: agm101658972 · 空间群: R32 (#155)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_386_spg2
Pm2Pr Pr Lu
2025-05-17 10:26:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101658972).
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 agm101658972
data_agm101658972
_cell_length_a 6.27016
_cell_length_b 6.27016
_cell_length_c 11.90446
_cell_angle_alpha 74.73981
_cell_angle_beta 105.26019
_cell_angle_gamma 120.01497
_cell_volume 386.09195
_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 0.33218 0.66657 0.99886 1.00000
Pm2 Pm 0.66657 0.33218 0.00114 1.00000
Pr1 Pr 0.99895 0.99895 0.00000 1.00000
Pr2 Pr 0.16697 0.83318 0.50044 1.00000
Pr3 Pr 0.83318 0.16697 0.49956 1.00000
Lu1 Lu 0.50009 0.50009 0.50000 1.00000
Lu2 Lu 0.08665 0.58320 0.25166 1.00000
Lu3 Lu 0.74826 0.91370 0.25176 1.00000
Lu4 Lu 0.41729 0.25216 0.25166 1.00000
Lu5 Lu 0.91370 0.74826 0.74824 1.00000
Lu6 Lu 0.25216 0.41729 0.74834 1.00000
Lu7 Lu 0.58320 0.08665 0.74834 1.00000
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