Sm2Dy5Tm2
Alexandria ALEXAlex-ID: agm009986173 · 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
A2B2C5_963_spg12
DyTm5 Sm3Dy5 SmDy5
2024-05-12 22:23:14.740225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009986173).
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 agm009986173
data_agm009986173
_cell_length_a 7.91719
_cell_length_b 7.91719
_cell_length_c 10.66166
_cell_angle_alpha 77.06776
_cell_angle_beta 77.06776
_cell_angle_gamma 25.88648
_cell_volume 283.97313
_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
Sm1 Sm 0.66655 0.66655 0.77716 1.00000
Sm2 Sm 0.33345 0.33345 0.22284 1.00000
Dy1 Dy 0.66649 0.66649 0.11205 1.00000
Dy2 Dy 0.33351 0.33351 0.88795 1.00000
Dy3 Dy 0.66570 0.66570 0.44444 1.00000
Dy4 Dy 0.33430 0.33430 0.55556 1.00000
Dy5 Dy 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.99992 0.99992 0.66550 1.00000
Tm2 Tm 0.00008 0.00008 0.33450 1.00000
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