Dy6TcGe8
Alexandria ALEXAlex-ID: agm072299290 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_684_spg1
Dy3Ge4 Dy2Tc3Ge4 DyGe
2024-10-06 11:20:03.987011
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072299290).
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 agm072299290
data_agm072299290
_cell_length_a 7.78934
_cell_length_b 7.74594
_cell_length_c 8.76120
_cell_angle_alpha 123.72502
_cell_angle_beta 57.97264
_cell_angle_gamma 126.96813
_cell_volume 335.57170
_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 0.42323 0.28160 0.95214 1.00000
Dy2 Dy 0.72716 0.27397 0.41187 1.00000
Dy3 Dy 0.24697 0.77036 0.21544 1.00000
Dy4 Dy 0.86470 0.86161 0.89953 1.00000
Dy5 Dy 0.75801 0.93382 0.60150 1.00000
Dy6 Dy 0.30931 0.39309 0.44927 1.00000
Tc1 Tc 0.01222 0.36679 0.89545 1.00000
Ge1 Ge 0.22587 0.09821 0.62834 1.00000
Ge2 Ge 0.60915 0.11339 0.05124 1.00000
Ge3 Ge 0.01620 0.01637 0.21984 1.00000
Ge4 Ge 0.88923 0.42043 0.71068 1.00000
Ge5 Ge 0.45256 0.54681 0.77941 1.00000
Ge6 Ge 0.23218 0.76961 0.85308 1.00000
Ge7 Ge 0.57172 0.76022 0.28130 1.00000
Ge8 Ge 0.78801 0.55373 0.21765 1.00000
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