Dy2Tm2Cd
Alexandria ALEXAlex-ID: agm005873789 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_310_spg139
DyTmCd DyTm5 Dy2Cd
2023-08-03 12:36:23.709807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005873789).
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 agm005873789
data_agm005873789
_cell_length_a 3.51965
_cell_length_b 3.51965
_cell_length_c 11.89057
_cell_angle_alpha 98.51114
_cell_angle_beta 98.51114
_cell_angle_gamma 90.00000
_cell_volume 144.03701
_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 0.80398 0.80398 0.60796 1.00000
Dy2 Dy 0.19602 0.19602 0.39204 1.00000
Tm1 Tm 0.58921 0.58921 0.17842 1.00000
Tm2 Tm 0.41079 0.41079 0.82158 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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