Dy6C3O2F
Alexandria ALEXAlex-ID: agm050436617 · 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_28_spg12
Dy2CO Dy4C2O Dy2CF2
2024-12-02 23:39:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050436617).
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
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# CIF generated by HEAS from Alexandria entry agm050436617
data_agm050436617
_cell_length_a 7.89362
_cell_length_b 7.89362
_cell_length_c 7.07044
_cell_angle_alpha 77.59812
_cell_angle_beta 102.40188
_cell_angle_gamma 154.06161
_cell_volume 187.96214
_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 0.32627 0.67373 0.91708 1.00000
Dy2 Dy 0.66584 0.33416 0.58877 1.00000
Dy3 Dy 0.67373 0.32627 0.08292 1.00000
Dy4 Dy 0.99814 0.00186 0.26808 1.00000
Dy5 Dy 0.00186 0.99814 0.73192 1.00000
Dy6 Dy 0.33416 0.66584 0.41123 1.00000
C1 C 0.50000 0.50000 0.50000 1.00000
C2 C 0.83460 0.16540 0.16498 1.00000
C3 C 0.16540 0.83460 0.83502 1.00000
O1 O 0.83333 0.16667 0.66742 1.00000
O2 O 0.16667 0.83333 0.33258 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
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