Dy6Tc2Pd
Alexandria ALEXAlex-ID: agm005807019 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_160_spg71
Dy3Tc DyTc2 DyPd
2023-07-09 18:36:57.314648
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807019).
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 agm005807019
data_agm005807019
_cell_length_a 8.37649
_cell_length_b 8.37649
_cell_length_c 8.37648
_cell_angle_alpha 106.71397
_cell_angle_beta 111.62465
_cell_angle_gamma 110.11352
_cell_volume 451.57898
_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 0.53916 0.72373 0.81542 1.00000
Dy2 Dy 0.46084 0.27627 0.18458 1.00000
Dy3 Dy 0.09169 0.27627 0.81542 1.00000
Dy4 Dy 0.90831 0.72373 0.18458 1.00000
Dy5 Dy 0.80157 0.76493 0.56649 1.00000
Dy6 Dy 0.19843 0.23507 0.43351 1.00000
Dy7 Dy 0.19843 0.76493 0.96336 1.00000
Dy8 Dy 0.80157 0.23507 0.03664 1.00000
Dy9 Dy 0.70632 0.38710 0.68078 1.00000
Dy10 Dy 0.29368 0.61290 0.31922 1.00000
Dy11 Dy 0.29368 0.97445 0.68078 1.00000
Dy12 Dy 0.70632 0.02554 0.31922 1.00000
Tc1 Tc 0.50000 0.38141 0.88141 1.00000
Tc2 Tc 0.50000 0.61859 0.11859 1.00000
Tc3 Tc 0.63384 0.00000 0.63384 1.00000
Tc4 Tc 0.36616 1.00000 0.36616 1.00000
Pd1 Pd 0.00000 0.50000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
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