Pr3DyCo5
Alexandria ALEXAlex-ID: agm072801434 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1600_spg1
DyCo2 PrCo
2024-09-24 03:00:13.156704
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072801434).
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 agm072801434
data_agm072801434
_cell_length_a 3.87758
_cell_length_b 6.84532
_cell_length_c 7.59347
_cell_angle_alpha 78.25687
_cell_angle_beta 77.71363
_cell_angle_gamma 83.52807
_cell_volume 192.30942
_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 0.49276 0.62560 0.93244 1.00000
Pr2 Pr 0.64807 0.03282 0.12380 1.00000
Pr3 Pr 0.97864 0.63096 0.43444 1.00000
Dy1 Dy 0.31748 0.22995 0.73224 1.00000
Co1 Co 0.97780 0.14255 0.43931 1.00000
Co2 Co 0.05537 0.34887 0.13532 1.00000
Co3 Co 0.92192 0.91212 0.72316 1.00000
Co4 Co 0.47864 0.94080 0.54070 1.00000
Co5 Co 0.49083 0.33015 0.33026 1.00000
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