Dy3Tm2ThBi6
Alexandria ALEXAlex-ID: agm034733072 · 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_251_spg12
Dy5ThBi6 Dy2TmThBi4 DyTm3Bi4
2025-01-22 10:50:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034733072).
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 agm034733072
data_agm034733072
_cell_length_a 10.02105
_cell_length_b 10.02105
_cell_length_c 8.97114
_cell_angle_alpha 76.99068
_cell_angle_beta 103.00932
_cell_angle_gamma 154.09604
_cell_volume 382.92505
_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 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.83442 0.16558 0.16932 1.00000
Dy3 Dy 0.16558 0.83442 0.83068 1.00000
Tm1 Tm 0.83161 0.16839 0.66430 1.00000
Tm2 Tm 0.16839 0.83161 0.33570 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.33072 0.66928 0.91343 1.00000
Bi2 Bi 0.66705 0.33295 0.58107 1.00000
Bi3 Bi 0.66928 0.33072 0.08657 1.00000
Bi4 Bi 0.00188 0.99812 0.25749 1.00000
Bi5 Bi 0.99812 0.00188 0.74251 1.00000
Bi6 Bi 0.33295 0.66705 0.41893 1.00000
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