Pm6IrC2
Alexandria ALEXAlex-ID: agm003498529 · 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
AB2C6_907_spg12
Pm5Ir2 Pm2C3 Pm2C
2022-02-23 16:38:57.039080
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003498529).
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 agm003498529
data_agm003498529
_cell_length_a 5.12073
_cell_length_b 6.65796
_cell_length_c 8.34682
_cell_angle_alpha 68.38477
_cell_angle_beta 72.13670
_cell_angle_gamma 67.38377
_cell_volume 239.65569
_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
Pm1 Pm 0.70366 0.69302 0.89965 1.00000
Pm2 Pm 0.29634 0.30698 0.10035 1.00000
Pm3 Pm 0.98399 0.83880 0.19322 1.00000
Pm4 Pm 0.34663 0.71577 0.59096 1.00000
Pm5 Pm 0.01601 0.16120 0.80678 1.00000
Pm6 Pm 0.65337 0.28423 0.40904 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
C1 C 0.18977 0.71777 0.90269 1.00000
C2 C 0.81023 0.28223 0.09731 1.00000
获取直接链接