Dy2Er(TmSb2)3
Alexandria ALEXAlex-ID: agm026732829 · 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_201_spg12
ErTm3Sb4 Dy3ErSb4 Dy3TmSb4
2024-12-09 14:48:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026732829).
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 agm026732829
data_agm026732829
_cell_length_a 9.73173
_cell_length_b 9.73173
_cell_length_c 8.70971
_cell_angle_alpha 77.07375
_cell_angle_beta 102.92625
_cell_angle_gamma 154.13352
_cell_volume 350.26177
_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 0.83378 0.16622 0.16701 1.00000
Dy2 Dy 0.16622 0.83378 0.83299 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.16722 0.83278 0.33356 1.00000
Tm3 Tm 0.83278 0.16722 0.66644 1.00000
Sb1 Sb 0.66631 0.33369 0.08536 1.00000
Sb2 Sb 0.66644 0.33356 0.58083 1.00000
Sb3 Sb 0.33369 0.66631 0.91464 1.00000
Sb4 Sb 0.99887 0.00113 0.74855 1.00000
Sb5 Sb 0.00113 0.99887 0.25145 1.00000
Sb6 Sb 0.33356 0.66644 0.41917 1.00000
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