Dy3C2Cl
Alexandria ALEXAlex-ID: agm005804855 · 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
AB2C3_793_spg2
Dy2CCl Dy4C5 Dy2C
2023-08-07 08:44:37.312887
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804855).
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 agm005804855
data_agm005804855
_cell_length_a 3.65697
_cell_length_b 6.57647
_cell_length_c 10.62796
_cell_angle_alpha 65.36187
_cell_angle_beta 89.99999
_cell_angle_gamma 106.14294
_cell_volume 221.19605
_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 0.66448 0.32896 0.93083 1.00000
Dy2 Dy 0.97520 0.95041 0.77378 1.00000
Dy3 Dy 0.64069 0.28137 0.40410 1.00000
Dy4 Dy 0.02480 0.04959 0.22622 1.00000
Dy5 Dy 0.33552 0.67104 0.06917 1.00000
Dy6 Dy 0.35931 0.71863 0.59590 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
C3 C 0.66529 0.33058 0.16774 1.00000
C4 C 0.33471 0.66942 0.83226 1.00000
Cl1 Cl 0.32912 0.65824 0.34270 1.00000
Cl2 Cl 0.67088 0.34176 0.65730 1.00000
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