PrDyY5Ho2
Alexandria ALEXAlex-ID: agm005146589 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Dy2Ho7 Dy5Ho Y5Ho PrY2
2023-01-19 17:46:05.981707
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146589).
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 agm005146589
data_agm005146589
_cell_length_a 5.64046
_cell_length_b 10.44906
_cell_length_c 10.56211
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.65847
_cell_volume 599.40110
_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 0.80218 0.60436 0.51389 1.00000
Pr2 Pr 0.19782 0.39564 0.01389 1.00000
Dy1 Dy 0.58618 0.17236 0.95050 1.00000
Dy2 Dy 0.41382 0.82764 0.45050 1.00000
Y1 Y 0.39045 0.78091 0.02480 1.00000
Y2 Y 0.72097 0.44195 0.81323 1.00000
Y3 Y 0.47828 0.95655 0.73708 1.00000
Y4 Y 0.30090 0.60181 0.70519 1.00000
Y5 Y 0.98370 0.96739 0.52378 1.00000
Y6 Y 0.60955 0.21909 0.52480 1.00000
Y7 Y 0.27903 0.55805 0.31323 1.00000
Y8 Y 0.52172 0.04345 0.23708 1.00000
Y9 Y 0.69910 0.39819 0.20519 1.00000
Y10 Y 0.01630 0.03261 0.02378 1.00000
Ho1 Ho 0.88744 0.77488 0.81954 1.00000
Ho2 Ho 0.10998 0.21997 0.73595 1.00000
Ho3 Ho 0.11256 0.22512 0.31954 1.00000
Ho4 Ho 0.89002 0.78003 0.23595 1.00000
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