Pr2B5Ru3
Alexandria ALEXAlex-ID: agm002255019 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_12_spg5
Pr(BRu)2 PrB4
2018-10-05 20:02:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002255019).
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 agm002255019
data_agm002255019
_cell_length_a 4.07131
_cell_length_b 5.72810
_cell_length_c 6.93397
_cell_angle_alpha 79.65331
_cell_angle_beta 72.95225
_cell_angle_gamma 69.18923
_cell_volume 143.99888
_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 0.39602 0.41802 0.23965 1.00000
Pr2 Pr 0.05374 0.58177 0.76056 1.00000
Ru1 Ru 0.02133 0.00042 0.99989 1.00000
Ru2 Ru 0.60864 0.85746 0.40589 1.00000
Ru3 Ru 0.87214 0.14239 0.59407 1.00000
B1 B 0.73307 0.49996 0.50004 1.00000
B2 B 0.52817 0.07951 0.88355 1.00000
B3 B 0.49117 0.92009 0.11649 1.00000
B4 B 0.08978 0.97060 0.31210 1.00000
B5 B 0.37235 0.02968 0.68776 1.00000
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