Dy2Y5TmTh
Alexandria ALEXAlex-ID: agm005154355 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_252_spg36
Dy5Y DyY5 Y5Tm YTmTh2
2023-01-19 16:38:17.263152
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154355).
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 agm005154355
data_agm005154355
_cell_length_a 5.66732
_cell_length_b 10.74879
_cell_length_c 10.05502
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.28531
_cell_volume 590.85175
_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 0.88979 0.77958 0.81595 1.00000
Dy2 Dy 0.11921 0.23843 0.72472 1.00000
Dy3 Dy 0.11021 0.22042 0.31595 1.00000
Dy4 Dy 0.88079 0.76157 0.22472 1.00000
Y1 Y 0.38012 0.76025 0.02927 1.00000
Y2 Y 0.73373 0.46746 0.83311 1.00000
Y3 Y 0.47862 0.95724 0.74042 1.00000
Y4 Y 0.30184 0.60368 0.70638 1.00000
Y5 Y 0.98466 0.96933 0.51372 1.00000
Y6 Y 0.61988 0.23975 0.52927 1.00000
Y7 Y 0.26627 0.53254 0.33311 1.00000
Y8 Y 0.52138 0.04276 0.24042 1.00000
Y9 Y 0.69816 0.39632 0.20638 1.00000
Y10 Y 0.01534 0.03067 0.01372 1.00000
Tm1 Tm 0.59660 0.19320 0.93991 1.00000
Tm2 Tm 0.40340 0.80680 0.43991 1.00000
Th1 Th 0.80919 0.61837 0.52047 1.00000
Th2 Th 0.19081 0.38163 0.02047 1.00000
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