Sc2GeIr2
Alexandria ALEXAlex-ID: agm002313664 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_18_spg15
ScGeIr ScIr
2018-10-19 22:04:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002313664).
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 agm002313664
data_agm002313664
_cell_length_a 5.51392
_cell_length_b 5.51391
_cell_length_c 7.33346
_cell_angle_alpha 77.55306
_cell_angle_beta 77.55293
_cell_angle_gamma 56.41299
_cell_volume 180.09576
_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
Sc1 Sc 0.70248 0.00004 0.15204 1.00000
Sc2 Sc 0.99996 0.29752 0.34796 1.00000
Sc3 Sc 0.29752 0.99996 0.84796 1.00000
Sc4 Sc 0.00004 0.70248 0.65204 1.00000
Ge1 Ge 0.67854 0.32147 0.75000 1.00000
Ge2 Ge 0.32146 0.67853 0.25000 1.00000
Ir1 Ir 0.76292 0.50522 0.00214 1.00000
Ir2 Ir 0.49478 0.23708 0.49786 1.00000
Ir3 Ir 0.23708 0.49478 0.99786 1.00000
Ir4 Ir 0.50522 0.76292 0.50214 1.00000
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