PrDy4HoTm2
Alexandria ALEXAlex-ID: agm004867564 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_346_spg74
HoTm5 PrDy5 PrDyHo4 Pr
2023-02-08 00:14:32.154134
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004867564).
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 agm004867564
data_agm004867564
_cell_length_a 9.46845
_cell_length_b 9.46845
_cell_length_c 11.74406
_cell_angle_alpha 128.33004
_cell_angle_beta 128.33008
_cell_angle_gamma 88.57390
_cell_volume 525.64913
_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 0.50000 0.00001 1.00000
Pr2 Pr 1.00000 0.50000 0.49999 1.00000
Dy1 Dy 0.25380 0.75118 0.00223 1.00000
Dy2 Dy 0.74881 0.24620 0.49777 1.00000
Dy3 Dy 0.25118 0.75379 0.50223 1.00000
Dy4 Dy 0.74622 0.24882 0.99777 1.00000
Dy5 Dy 0.74491 0.75098 0.99901 1.00000
Dy6 Dy 0.74902 0.75509 0.50099 1.00000
Dy7 Dy 0.25098 0.24492 0.49901 1.00000
Dy8 Dy 0.25508 0.24902 0.00099 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.99999 0.00000 1.00000 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.50000 0.50000 1.00000 1.00000
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