Dy6Cd3Cu2Ir
Alexandria ALEXAlex-ID: agm044006751 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_175_spg12
Dy2CdCu2 Dy4CdIr Dy6Cd5Ir Dy5Ir3
2024-09-26 03:08:51.441662
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044006751).
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 agm044006751
data_agm044006751
_cell_length_a 7.91186
_cell_length_b 7.91186
_cell_length_c 9.04284
_cell_angle_alpha 58.35299
_cell_angle_beta 58.35299
_cell_angle_gamma 36.59483
_cell_volume 281.24750
_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 0.58760 0.58760 0.22200 1.00000
Dy2 Dy 0.73573 0.73573 0.77840 1.00000
Dy3 Dy 0.41240 0.41240 0.77800 1.00000
Dy4 Dy 0.92823 0.92823 0.21715 1.00000
Dy5 Dy 0.26427 0.26427 0.22160 1.00000
Dy6 Dy 0.07177 0.07177 0.78285 1.00000
Cd1 Cd 0.32963 0.32963 0.50971 1.00000
Cd2 Cd 0.67037 0.67037 0.49029 1.00000
Cd3 Cd 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.17887 0.17887 0.99846 1.00000
Cu2 Cu 0.82113 0.82113 0.00154 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
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