Dy2Th2Tl
Alexandria ALEXAlex-ID: agm012299673 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_105_spg164
DyTh4 Dy5Tl3 Th
2024-06-03 20:54:14.864790
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012299673).
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 agm012299673
data_agm012299673
_cell_length_a 14.73200
_cell_length_b 14.73200
_cell_length_c 14.73200
_cell_angle_alpha 13.75774
_cell_angle_beta 13.75774
_cell_angle_gamma 13.75774
_cell_volume 157.35599
_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 0.79919 0.79919 0.79919 1.00000
Dy2 Dy 0.20081 0.20081 0.20081 1.00000
Th1 Th 0.39936 0.39936 0.39936 1.00000
Th2 Th 0.60064 0.60064 0.60064 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
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