Pr3Cd2Ni7
Alexandria ALEXAlex-ID: agm024797386 · 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
A2B3C7_54_spg12
Pr5Ni19 PrCdNi2 Pr2CdNi2
2025-05-17 05:55:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024797386).
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}
}
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# CIF generated by HEAS from Alexandria entry agm024797386
data_agm024797386
_cell_length_a 8.94773
_cell_length_b 8.94773
_cell_length_c 8.94773
_cell_angle_alpha 34.70542
_cell_angle_beta 34.70542
_cell_angle_gamma 34.70542
_cell_volume 207.24480
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.13951 0.13951 0.13951 1.00000
Pr3 Pr 0.86049 0.86049 0.86049 1.00000
Cd1 Cd 0.33205 0.33205 0.33205 1.00000
Cd2 Cd 0.66795 0.66795 0.66795 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.09320 0.58517 0.58517 1.00000
Ni3 Ni 0.58517 0.58517 0.09320 1.00000
Ni4 Ni 0.58517 0.09320 0.58517 1.00000
Ni5 Ni 0.90680 0.41483 0.41483 1.00000
Ni6 Ni 0.41483 0.90680 0.41483 1.00000
Ni7 Ni 0.41483 0.41483 0.90680 1.00000
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