DyTh2Ir
Alexandria ALEXAlex-ID: agm005745708 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_63_spg63
DyTh4 Th7Ir3 Dy5Ir2
2023-07-12 00:15:51.055305
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005745708).
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 agm005745708
data_agm005745708
_cell_length_a 3.83537
_cell_length_b 6.15737
_cell_length_c 10.05598
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00001
_cell_angle_gamma 108.05769
_cell_volume 225.78311
_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 0.41679 0.83323 0.25000 1.00000
Dy2 Dy 0.58321 0.16677 0.75000 1.00000
Th1 Th 0.13789 0.27628 0.43993 1.00000
Th2 Th 0.86211 0.72372 0.56007 1.00000
Th3 Th 0.86211 0.72372 0.93993 1.00000
Th4 Th 0.13789 0.27628 0.06007 1.00000
Ir1 Ir 0.71208 0.42469 0.25000 1.00000
Ir2 Ir 0.28792 0.57531 0.75000 1.00000
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