Ce6Ir2PtI3
Alexandria ALEXAlex-ID: agm025536244 · 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
Ce2IrI Ce3IrI3 Ce CePt
2024-12-31 09:09:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025536244).
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 agm025536244
data_agm025536244
_cell_length_a 10.21734
_cell_length_b 10.21734
_cell_length_c 9.32120
_cell_angle_alpha 69.17234
_cell_angle_beta 110.82766
_cell_angle_gamma 156.31147
_cell_volume 364.23653
_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 0.34384 0.65616 0.37571 1.00000
Ce2 Ce 0.68125 0.31875 0.04805 1.00000
Ce3 Ce 0.65616 0.34384 0.62429 1.00000
Ce4 Ce 0.01685 0.98315 0.72094 1.00000
Ce5 Ce 0.98315 0.01685 0.27906 1.00000
Ce6 Ce 0.31875 0.68125 0.95195 1.00000
Ir1 Ir 0.83282 0.16718 0.16588 1.00000
Ir2 Ir 0.16718 0.83282 0.83412 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
I1 I 0.50000 0.50000 0.00000 1.00000
I2 I 0.83445 0.16555 0.66633 1.00000
I3 I 0.16555 0.83445 0.33367 1.00000
获取直接链接