PmDyBr3
Alexandria ALEXAlex-ID: agm003733162 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_20_spg148
DyBr3 Dy PmBr2
2022-04-15 11:56:28.824644
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733162).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003733162
data_agm003733162
_cell_length_a 6.62981
_cell_length_b 6.60851
_cell_length_c 8.82250
_cell_angle_alpha 67.90123
_cell_angle_beta 67.85920
_cell_angle_gamma 59.86650
_cell_volume 301.09688
_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
Pm1 Pm 0.83179 0.83130 0.50559 1.00000
Pm2 Pm 0.16821 0.16870 0.49441 1.00000
Dy1 Dy 0.33185 0.32951 0.00531 1.00000
Dy2 Dy 0.66815 0.67049 0.99469 1.00000
Br1 Br 0.74506 0.41155 0.76263 1.00000
Br2 Br 0.08142 0.74486 0.76122 1.00000
Br3 Br 0.41055 0.08155 0.76086 1.00000
Br4 Br 0.25494 0.58845 0.23737 1.00000
Br5 Br 0.91858 0.25514 0.23878 1.00000
Br6 Br 0.58945 0.91845 0.23914 1.00000
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