Sm3Ga3Ir2Pd
Alexandria ALEXAlex-ID: agm033242271 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
Sm3Ga3Ir2Pd
2025-01-20 20:49:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033242271).
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 agm033242271
data_agm033242271
_cell_length_a 6.98709
_cell_length_b 4.43127
_cell_length_c 23.50623
_cell_angle_alpha 90.00000
_cell_angle_beta 90.02049
_cell_angle_gamma 90.00000
_cell_volume 727.79194
_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
Sm1 Sm 0.52228 0.00000 0.93568 1.00000
Sm2 Sm 0.52069 0.00000 0.60117 1.00000
Sm3 Sm 0.51987 0.00000 0.26852 1.00000
Sm4 Sm 0.02257 0.00000 0.89894 1.00000
Sm5 Sm 0.02358 0.00000 0.56271 1.00000
Sm6 Sm 0.02345 0.00000 0.23016 1.00000
Sm7 Sm 0.47008 0.50000 0.72889 1.00000
Sm8 Sm 0.46799 0.50000 0.39693 1.00000
Sm9 Sm 0.46719 0.50000 0.06346 1.00000
Sm10 Sm 0.96951 0.50000 0.77117 1.00000
Sm11 Sm 0.97776 0.50000 0.43773 1.00000
Sm12 Sm 0.97692 0.50000 0.10490 1.00000
Ga1 Ga 0.66331 0.00000 0.81100 1.00000
Ga2 Ga 0.65622 0.00000 0.47698 1.00000
Ga3 Ga 0.65482 0.00000 0.14410 1.00000
Ga4 Ga 0.16103 0.00000 0.68897 1.00000
Ga5 Ga 0.16466 0.00000 0.35696 1.00000
Ga6 Ga 0.16543 0.00000 0.02395 1.00000
Ga7 Ga 0.34427 0.50000 0.85762 1.00000
Ga8 Ga 0.34141 0.50000 0.52396 1.00000
Ga9 Ga 0.34086 0.50000 0.19065 1.00000
Ga10 Ga 0.84399 0.50000 0.97631 1.00000
Ga11 Ga 0.84313 0.50000 0.64174 1.00000
Ga12 Ga 0.84265 0.50000 0.30886 1.00000
Ir1 Ir 0.27593 0.00000 0.46370 1.00000
Ir2 Ir 0.27480 0.00000 0.13050 1.00000
Ir3 Ir 0.22571 0.50000 0.96354 1.00000
Ir4 Ir 0.22377 0.50000 0.63138 1.00000
Ir5 Ir 0.22274 0.50000 0.29757 1.00000
Ir6 Ir 0.72612 0.50000 0.86948 1.00000
Ir7 Ir 0.72456 0.50000 0.53542 1.00000
Ir8 Ir 0.72279 0.50000 0.20261 1.00000
Pd1 Pd 0.77877 0.00000 0.70249 1.00000
Pd2 Pd 0.78016 0.00000 0.36862 1.00000
Pd3 Pd 0.78078 0.00000 0.03577 1.00000
Pd4 Pd 0.28017 0.00000 0.79753 1.00000
