LaDyY5Tm2
Alexandria ALEXAlex-ID: agm005146345 · 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_204_spg36
Dy5Tm Y5Tm DyTm5 LaY2
2023-01-19 17:43:26.192975
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146345).
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 agm005146345
data_agm005146345
_cell_length_a 5.63214
_cell_length_b 10.41281
_cell_length_c 10.47300
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.69063
_cell_volume 591.31646
_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
La1 La 0.58415 0.16830 0.94331 1.00000
La2 La 0.41585 0.83170 0.44331 1.00000
Dy1 Dy 0.80404 0.60807 0.51502 1.00000
Dy2 Dy 0.19596 0.39193 0.01502 1.00000
Y1 Y 0.38298 0.76597 0.02426 1.00000
Y2 Y 0.72302 0.44605 0.82251 1.00000
Y3 Y 0.47786 0.95573 0.73515 1.00000
Y4 Y 0.29753 0.59505 0.70892 1.00000
Y5 Y 0.98400 0.96799 0.52300 1.00000
Y6 Y 0.61702 0.23403 0.52426 1.00000
Y7 Y 0.27698 0.55395 0.32251 1.00000
Y8 Y 0.52214 0.04427 0.23515 1.00000
Y9 Y 0.70247 0.40495 0.20892 1.00000
Y10 Y 0.01600 0.03201 0.02300 1.00000
Tm1 Tm 0.88787 0.77575 0.81787 1.00000
Tm2 Tm 0.11235 0.22470 0.73394 1.00000
Tm3 Tm 0.11213 0.22425 0.31787 1.00000
Tm4 Tm 0.88765 0.77530 0.23394 1.00000
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