Pm2Ge2Ir2C
Alexandria ALEXAlex-ID: agm004544293 · 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
AB2C2D2_69_spg12
PmGeIr C
2022-06-22 01:07:15.297219
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544293).
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 agm004544293
data_agm004544293
_cell_length_a 4.14100
_cell_length_b 5.99810
_cell_length_c 6.11284
_cell_angle_alpha 72.12885
_cell_angle_beta 70.20151
_cell_angle_gamma 69.80644
_cell_volume 130.93688
_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 0.56290 0.17263 0.70157 1.00000
Pm2 Pm 0.43710 0.82737 0.29843 1.00000
Ge1 Ge 0.15960 0.37092 0.30988 1.00000
Ge2 Ge 0.84040 0.62908 0.69012 1.00000
Ir1 Ir 0.19406 0.69131 0.92058 1.00000
Ir2 Ir 0.80594 0.30869 0.07942 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
获取直接链接