Dy2Er2Th5
Alexandria ALEXAlex-ID: agm005565784 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_491_spg2
DyErTh2 DyTh4 Er2Th
2023-06-02 18:55:02.820477
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565784).
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 agm005565784
data_agm005565784
_cell_length_a 6.15463
_cell_length_b 6.14456
_cell_length_c 9.39086
_cell_angle_alpha 71.26607
_cell_angle_beta 89.95789
_cell_angle_gamma 60.09191
_cell_volume 285.98503
_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 0.22153 0.88837 0.66670 1.00000
Dy2 Dy 0.77847 0.11163 0.33330 1.00000
Er1 Er 0.33408 0.33211 0.00003 1.00000
Er2 Er 0.66592 0.66789 0.99996 1.00000
Th1 Th 0.44578 0.77674 0.33518 1.00000
Th2 Th 0.55422 0.22326 0.66482 1.00000
Th3 Th 0.10895 0.44567 0.33395 1.00000
Th4 Th 0.89105 0.55433 0.66605 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
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