CePr5Er
Alexandria ALEXAlex-ID: agm005807813 · 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
ABC5_743_spg12
Pr2Er7 Ce Pr
2023-07-17 11:08:53.210902
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807813).
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 agm005807813
data_agm005807813
_cell_length_a 10.42033
_cell_length_b 8.71359
_cell_length_c 6.30944
_cell_angle_alpha 113.23993
_cell_angle_beta 34.30097
_cell_angle_gamma 126.74331
_cell_volume 252.33106
_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
Ce1 Ce 0.49999 0.50000 0.50003 1.00000
Pr1 Pr 0.74325 0.27341 0.35757 1.00000
Pr2 Pr 0.17317 0.27300 0.35660 1.00000
Pr3 Pr 0.50000 0.00001 0.00000 1.00000
Pr4 Pr 0.82684 0.72700 0.64338 1.00000
Pr5 Pr 0.25676 0.72658 0.64241 1.00000
Er1 Er 0.99999 1.00000 0.00001 1.00000
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