Dy6AlTe3Se2
Alexandria ALEXAlex-ID: agm004604262 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
Dy2TeSe Dy2AlTe
2022-06-26 06:41:09.373752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004604262).
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 agm004604262
data_agm004604262
_cell_length_a 4.15148
_cell_length_b 8.68520
_cell_length_c 9.59382
_cell_angle_alpha 104.64560
_cell_angle_beta 102.49547
_cell_angle_gamma 90.00000
_cell_volume 326.20368
_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 0.34101 0.90493 0.68201 1.00000
Dy2 Dy 0.67265 0.56591 0.34530 1.00000
Dy3 Dy 0.65899 0.09507 0.31799 1.00000
Dy4 Dy 0.00449 0.23790 0.00897 1.00000
Dy5 Dy 0.99551 0.76210 0.99103 1.00000
Dy6 Dy 0.32735 0.43409 0.65470 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83098 0.17002 0.66197 1.00000
Te3 Te 0.16902 0.82998 0.33803 1.00000
Se1 Se 0.83195 0.66600 0.66389 1.00000
Se2 Se 0.16805 0.33400 0.33611 1.00000
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