Ce3Ti3Cd2
Alexandria ALEXAlex-ID: agm009779113 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_13_spg12
Ce2Cd3 Ce Ti
2024-06-28 01:46:01.985681
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009779113).
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 agm009779113
data_agm009779113
_cell_length_a 9.59963
_cell_length_b 9.59963
_cell_length_c 9.59963
_cell_angle_alpha 154.35544
_cell_angle_beta 151.70110
_cell_angle_gamma 38.55753
_cell_volume 181.20290
_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 0.87778 0.87778 0.00000 1.00000
Ce2 Ce 0.00000 0.50000 0.50000 1.00000
Ce3 Ce 0.12222 0.12222 0.00000 1.00000
Ti1 Ti 0.38600 0.38600 0.00000 1.00000
Ti2 Ti 0.61400 0.61400 0.00000 1.00000
Ti3 Ti 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.25410 0.75410 0.50000 1.00000
Cd2 Cd 0.74590 0.24590 0.50000 1.00000
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