Ce7C3I10
Alexandria ALEXAlex-ID: agm005244897 · 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
A3B7C10_5_spg2
Ce3CI5 Ce4C2I5
2023-04-28 19:14:30.673529
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244897).
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 agm005244897
data_agm005244897
_cell_length_a 9.75850
_cell_length_b 11.79568
_cell_length_c 13.86979
_cell_angle_alpha 79.68032
_cell_angle_beta 71.02604
_cell_angle_gamma 66.10651
_cell_volume 1378.31252
_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
Ce1 Ce 0.95608 0.11427 0.82663 1.00000
Ce2 Ce 0.83173 0.24162 0.10195 1.00000
Ce3 Ce 0.54093 0.79720 0.30722 1.00000
Ce4 Ce 0.24587 0.05229 0.92096 1.00000
Ce5 Ce 0.13426 0.27376 0.58807 1.00000
Ce6 Ce 0.37941 0.92818 0.63885 1.00000
Ce7 Ce 0.75413 0.94771 0.07904 1.00000
Ce8 Ce 0.95805 0.58459 0.15941 1.00000
Ce9 Ce 0.04195 0.41541 0.84059 1.00000
Ce10 Ce 0.45907 0.20280 0.69278 1.00000
Ce11 Ce 0.16827 0.75838 0.89805 1.00000
Ce12 Ce 0.62059 0.07182 0.36115 1.00000
Ce13 Ce 0.04392 0.88573 0.17337 1.00000
Ce14 Ce 0.86574 0.72624 0.41193 1.00000
C1 C 0.24562 0.10993 0.72464 1.00000
C2 C 0.03926 0.94315 0.97621 1.00000
C3 C 0.96074 0.05685 0.02379 1.00000
C4 C 0.16783 0.22458 0.77144 1.00000
C5 C 0.75438 0.89007 0.27536 1.00000
C6 C 0.83217 0.77542 0.22856 1.00000
I1 I 0.85655 0.69778 0.95359 1.00000
I2 I 0.39245 0.92249 0.12009 1.00000
I3 I 0.92944 0.12860 0.30533 1.00000
I4 I 0.95763 0.56223 0.63934 1.00000
I5 I 0.18634 0.75479 0.37240 1.00000
I6 I 0.43723 0.34251 0.47760 1.00000
I7 I 0.71440 0.38792 0.90983 1.00000
I8 I 0.28300 0.04774 0.42998 1.00000
I9 I 0.71700 0.95226 0.57002 1.00000
I10 I 0.04237 0.43777 0.36066 1.00000
I11 I 0.34892 0.47613 0.77675 1.00000
I12 I 0.65108 0.52387 0.22325 1.00000
I13 I 0.56277 0.65749 0.52240 1.00000
I14 I 0.50374 0.21582 0.16894 1.00000
I15 I 0.07056 0.87140 0.69467 1.00000
I16 I 0.14345 0.30222 0.04641 1.00000
I17 I 0.81366 0.24521 0.62760 1.00000
I18 I 0.60755 0.07751 0.87991 1.00000
I19 I 0.49626 0.78418 0.83106 1.00000
I20 I 0.28560 0.61208 0.09017 1.00000
