Sc2C3
Alexandria ALEXAlex-ID: agm005506750 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_552_spg43
Sc3C4 C
2023-03-20 21:54:44.840449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506750).
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 agm005506750
data_agm005506750
_cell_length_a 6.71646
_cell_length_b 6.09009
_cell_length_c 4.59889
_cell_angle_alpha 76.44584
_cell_angle_beta 61.82226
_cell_angle_gamma 41.73210
_cell_volume 108.12091
_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 0.24985 0.82454 0.37610 1.00000
Sc2 Sc 0.54951 0.37610 0.82454 1.00000
Sc3 Sc 0.42547 0.00015 0.70049 1.00000
Sc4 Sc 0.87389 0.70049 0.00015 1.00000
C1 C 0.91215 0.38393 0.42142 1.00000
C2 C 0.28250 0.42142 0.38393 1.00000
C3 C 0.86607 0.33785 0.96750 1.00000
C4 C 0.82858 0.96750 0.33785 1.00000
C5 C 0.00599 0.99401 0.99401 1.00000
C6 C 0.25598 0.24402 0.24402 1.00000
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