La2PrRh9
Alexandria ALEXAlex-ID: agm003540323 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_0_spg166
LaRh3 PrRh3
2022-03-19 03:35:59.999923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003540323).
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 agm003540323
data_agm003540323
_cell_length_a 5.34338
_cell_length_b 5.34338
_cell_length_c 9.45588
_cell_angle_alpha 73.58798
_cell_angle_beta 73.58798
_cell_angle_gamma 60.00000
_cell_volume 221.01739
_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
La1 La 0.86136 0.86136 0.41591 1.00000
La2 La 0.13864 0.13864 0.58409 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.66739 0.66739 0.99783 1.00000
Rh2 Rh 0.33261 0.33261 0.00217 1.00000
Rh3 Rh 0.50000 0.50000 0.50000 1.00000
Rh4 Rh 0.41972 0.41972 0.24265 1.00000
Rh5 Rh 0.91792 0.41972 0.24265 1.00000
Rh6 Rh 0.41972 0.91792 0.24265 1.00000
Rh7 Rh 0.58028 0.58028 0.75735 1.00000
Rh8 Rh 0.58028 0.08208 0.75735 1.00000
Rh9 Rh 0.08208 0.58028 0.75735 1.00000
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