Dy7C2I12O
Alexandria ALEXAlex-ID: agm005256950 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7D12_1_spg2
Dy3CI5 Dy2CI3 DyIO DyI3
2023-03-17 06:26:48.298367
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256950).
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 agm005256950
data_agm005256950
_cell_length_a 9.94586
_cell_length_b 10.94981
_cell_length_c 17.04776
_cell_angle_alpha 102.33828
_cell_angle_beta 92.66907
_cell_angle_gamma 113.03679
_cell_volume 1651.47936
_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 0.66576 0.55307 0.88750 1.00000
Dy2 Dy 0.33424 0.44693 0.11250 1.00000
Dy3 Dy 0.93482 0.57382 0.73816 1.00000
Dy4 Dy 0.06518 0.42618 0.26184 1.00000
Dy5 Dy 0.86830 0.87751 0.85813 1.00000
Dy6 Dy 0.13170 0.12249 0.14187 1.00000
Dy7 Dy 0.45355 0.74147 0.81216 1.00000
Dy8 Dy 0.54645 0.25853 0.18784 1.00000
Dy9 Dy 0.72093 0.75306 0.65871 1.00000
Dy10 Dy 0.27907 0.24694 0.34129 1.00000
Dy11 Dy 0.52434 0.44543 0.68661 1.00000
Dy12 Dy 0.47566 0.55457 0.31339 1.00000
Dy13 Dy 0.35674 0.54521 0.51988 1.00000
Dy14 Dy 0.64326 0.45479 0.48012 1.00000
C1 C 0.63541 0.67762 0.78350 1.00000
C2 C 0.36459 0.32238 0.21650 1.00000
C3 C 0.75435 0.63857 0.76547 1.00000
C4 C 0.24565 0.36143 0.23453 1.00000
I1 I 0.66012 0.01736 0.90890 1.00000
I2 I 0.33988 0.98264 0.09110 1.00000
I3 I 0.94691 0.04044 0.72990 1.00000
I4 I 0.05309 0.95956 0.27010 1.00000
I5 I 0.44074 0.26469 0.80048 1.00000
I6 I 0.55926 0.73531 0.19952 1.00000
I7 I 0.90302 0.43532 0.87236 1.00000
I8 I 0.09698 0.56468 0.12764 1.00000
I9 I 0.45449 0.83713 0.64920 1.00000
I10 I 0.54551 0.16287 0.35080 1.00000
I11 I 0.21447 0.47334 0.68493 1.00000
I12 I 0.78553 0.52666 0.31507 1.00000
I13 I 0.72564 0.30644 0.60761 1.00000
I14 I 0.27436 0.69356 0.39239 1.00000
I15 I 0.17589 0.84310 0.83425 1.00000
I16 I 0.82411 0.15690 0.16575 1.00000
I17 I 0.60502 0.39729 0.04868 1.00000
I18 I 0.39498 0.60271 0.95132 1.00000
I19 I 0.69046 0.78679 0.47285 1.00000
I20 I 0.30954 0.21321 0.52715 1.00000
I21 I 0.87754 0.80434 0.01986 1.00000
I22 I 0.12246 0.19566 0.98014 1.00000
I23 I 0.96338 0.67189 0.57564 1.00000
I24 I 0.03662 0.32811 0.42436 1.00000
O1 O 0.55693 0.54657 0.58205 1.00000
O2 O 0.44307 0.45343 0.41795 1.00000
