Dy5Ho8Pu
Alexandria ALEXAlex-ID: agm006114299 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_86_spg82
Dy2Ho7 Dy5Ho Pu
2023-08-11 03:17:00.520802
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114299).
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 agm006114299
data_agm006114299
_cell_length_a 8.34139
_cell_length_b 8.34139
_cell_length_c 8.34139
_cell_angle_alpha 107.32677
_cell_angle_beta 113.85091
_cell_angle_gamma 107.32677
_cell_volume 444.80553
_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
Dy1 Dy 0.95051 0.23901 0.03508 1.00000
Dy2 Dy 0.96492 0.91544 0.20393 1.00000
Dy3 Dy 0.79607 0.76099 0.71150 1.00000
Dy4 Dy 0.50000 0.00000 0.50000 1.00000
Dy5 Dy 0.28850 0.08456 0.04949 1.00000
Ho1 Ho 0.05919 0.60473 0.96621 1.00000
Ho2 Ho 0.03379 0.09298 0.63852 1.00000
Ho3 Ho 0.77925 0.30555 0.40799 1.00000
Ho4 Ho 0.59201 0.37126 0.89757 1.00000
Ho5 Ho 0.52631 0.62874 0.22075 1.00000
Ho6 Ho 0.54554 0.90702 0.94081 1.00000
Ho7 Ho 0.36148 0.39527 0.45446 1.00000
Ho8 Ho 0.10243 0.69445 0.47369 1.00000
Pu1 Pu 0.25000 0.50000 0.75000 1.00000
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