Sc4Cr3Os2
Alexandria ALEXAlex-ID: agm012205366 · 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
A2B3C4_9_spg12
Sc2Os Cr
2024-06-24 11:17:39.865219
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012205366).
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
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# CIF generated by HEAS from Alexandria entry agm012205366
data_agm012205366
_cell_length_a 8.08769
_cell_length_b 8.08769
_cell_length_c 7.40967
_cell_angle_alpha 64.06325
_cell_angle_beta 64.06325
_cell_angle_gamma 21.61343
_cell_volume 159.85021
_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 0.74609 0.74609 0.20277 1.00000
Sc2 Sc 0.25391 0.25391 0.79723 1.00000
Sc3 Sc 0.39749 0.39749 0.34687 1.00000
Sc4 Sc 0.60251 0.60251 0.65313 1.00000
Cr1 Cr 0.94133 0.94133 0.63849 1.00000
Cr2 Cr 0.05867 0.05867 0.36151 1.00000
Cr3 Cr 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.60439 0.60439 0.06725 1.00000
Os2 Os 0.39561 0.39561 0.93275 1.00000
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