TbSm2Dy6Mg
Alexandria ALEXAlex-ID: agm004980976 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1643_spg15
TbDyMg2 SmDyMg2 Dy2Mg Tb(SmDy3)2
2022-07-27 02:03:11.696091
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004980976).
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 agm004980976
data_agm004980976
_cell_length_a 6.61742
_cell_length_b 10.96410
_cell_length_c 10.96410
_cell_angle_alpha 126.23614
_cell_angle_beta 85.81325
_cell_angle_gamma 85.81325
_cell_volume 633.21224
_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
Tb1 Tb 0.25000 0.99253 0.00747 1.00000
Tb2 Tb 0.75000 0.00747 0.99253 1.00000
Sm1 Sm 0.50216 0.81574 0.65113 1.00000
Sm2 Sm 0.99784 0.34887 0.18426 1.00000
Sm3 Sm 0.49784 0.18426 0.34887 1.00000
Sm4 Sm 0.00216 0.65113 0.81574 1.00000
Dy1 Dy 0.02959 0.08765 0.79402 1.00000
Dy2 Dy 0.47041 0.20598 0.91235 1.00000
Dy3 Dy 0.97041 0.91235 0.20598 1.00000
Dy4 Dy 0.52959 0.79402 0.08765 1.00000
Dy5 Dy 0.27835 0.91499 0.43668 1.00000
Dy6 Dy 0.22165 0.56332 0.08501 1.00000
Dy7 Dy 0.72165 0.08501 0.56332 1.00000
Dy8 Dy 0.77835 0.43668 0.91499 1.00000
Dy9 Dy 0.01769 0.70299 0.52880 1.00000
Dy10 Dy 0.48231 0.47120 0.29701 1.00000
Dy11 Dy 0.98231 0.29701 0.47120 1.00000
Dy12 Dy 0.51769 0.52880 0.70299 1.00000
Mg1 Mg 0.25000 0.29332 0.70668 1.00000
Mg2 Mg 0.75000 0.70668 0.29332 1.00000
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