Ac3IrPd2
Alexandria ALEXAlex-ID: agm005652702 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
Ac2IrPd AcPd
2023-08-24 03:32:32.377593
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652702).
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 agm005652702
data_agm005652702
_cell_length_a 6.18458
_cell_length_b 8.80911
_cell_length_c 13.05728
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99322
_cell_volume 711.36932
_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
Ac1 Ac 0.25019 0.61323 0.57917 1.00000
Ac2 Ac 0.25019 0.11323 0.92083 1.00000
Ac3 Ac 0.25048 0.63851 0.92350 1.00000
Ac4 Ac 0.25048 0.13851 0.57650 1.00000
Ac5 Ac 0.24897 0.62485 0.24887 1.00000
Ac6 Ac 0.24897 0.12485 0.25113 1.00000
Ac7 Ac 0.75103 0.87515 0.74887 1.00000
Ac8 Ac 0.75103 0.37515 0.75113 1.00000
Ac9 Ac 0.74952 0.86149 0.42350 1.00000
Ac10 Ac 0.74952 0.36149 0.07650 1.00000
Ac11 Ac 0.74981 0.88677 0.07917 1.00000
Ac12 Ac 0.74981 0.38677 0.42083 1.00000
Ir1 Ir 0.24980 0.87381 0.08821 1.00000
Ir2 Ir 0.24980 0.37381 0.41179 1.00000
Ir3 Ir 0.75020 0.62619 0.58821 1.00000
Ir4 Ir 0.75020 0.12619 0.91179 1.00000
Pd1 Pd 0.25110 0.87587 0.74263 1.00000
Pd2 Pd 0.25110 0.37587 0.75737 1.00000
Pd3 Pd 0.24950 0.87546 0.41845 1.00000
Pd4 Pd 0.24950 0.37546 0.08155 1.00000
Pd5 Pd 0.75050 0.62454 0.91845 1.00000
Pd6 Pd 0.75050 0.12454 0.58155 1.00000
Pd7 Pd 0.74890 0.62413 0.24263 1.00000
Pd8 Pd 0.74890 0.12413 0.25737 1.00000
