Dy2Br2Cl
Alexandria ALEXAlex-ID: agm005877236 · 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
AB2C2_141_spg12
DyBr3 Dy DyCl3
2023-08-03 13:41:14.060256
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877236).
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 agm005877236
data_agm005877236
_cell_length_a 3.88395
_cell_length_b 8.21016
_cell_length_c 10.71947
_cell_angle_alpha 98.60304
_cell_angle_beta 100.43756
_cell_angle_gamma 90.00000
_cell_volume 332.25363
_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 0.18216 0.91212 0.36432 1.00000
Dy2 Dy 0.81784 0.08788 0.63568 1.00000
Dy3 Dy 0.31881 0.69642 0.63761 1.00000
Dy4 Dy 0.68119 0.30358 0.36239 1.00000
Br1 Br 0.08983 0.16907 0.17965 1.00000
Br2 Br 0.91017 0.83093 0.82035 1.00000
Br3 Br 0.40972 0.22484 0.81944 1.00000
Br4 Br 0.59028 0.77516 0.18056 1.00000
Cl1 Cl 0.19123 0.55417 0.38246 1.00000
Cl2 Cl 0.80877 0.44583 0.61754 1.00000
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