Ce10As8Pd3O10
Alexandria ALEXAlex-ID: agm017404229 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B8C10D10_0_spg87
Ce10As8Pd3O10
2024-12-31 15:25:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017404229).
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 agm017404229
data_agm017404229
_cell_length_a 9.62597
_cell_length_b 9.62597
_cell_length_c 9.62597
_cell_angle_alpha 123.57485
_cell_angle_beta 123.57485
_cell_angle_gamma 83.91223
_cell_volume 592.94996
_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 0.34345 0.34345 0.00000 1.00000
Ce2 Ce 0.65655 0.65655 0.00000 1.00000
Ce3 Ce 0.12470 0.73280 0.19560 1.00000
Ce4 Ce 0.53720 0.92910 0.80440 1.00000
Ce5 Ce 0.73280 0.53720 0.60811 1.00000
Ce6 Ce 0.92910 0.12470 0.39189 1.00000
Ce7 Ce 0.87530 0.26720 0.80440 1.00000
Ce8 Ce 0.46280 0.07090 0.19560 1.00000
Ce9 Ce 0.26720 0.46280 0.39189 1.00000
Ce10 Ce 0.07090 0.87530 0.60811 1.00000
As1 As 0.24875 0.12486 0.37361 1.00000
As2 As 0.75125 0.87514 0.62639 1.00000
As3 As 0.12486 0.75125 0.87611 1.00000
As4 As 0.87514 0.24875 0.12389 1.00000
As5 As 0.27100 0.41223 0.68323 1.00000
As6 As 0.72900 0.58777 0.31677 1.00000
As7 As 0.41223 0.72900 0.14123 1.00000
As8 As 0.58777 0.27100 0.85877 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
Pd3 Pd 0.50000 0.00000 0.50000 1.00000
O1 O 0.45281 0.35566 0.29922 1.00000
O2 O 0.05644 0.15359 0.70078 1.00000
O3 O 0.35566 0.05644 0.90285 1.00000
O4 O 0.15359 0.45281 0.09715 1.00000
O5 O 0.54719 0.64434 0.70078 1.00000
O6 O 0.94356 0.84641 0.29922 1.00000
O7 O 0.64434 0.94356 0.09715 1.00000
O8 O 0.84641 0.54719 0.90285 1.00000
O9 O 0.25000 0.75000 0.50000 1.00000
O10 O 0.75000 0.25000 0.50000 1.00000
