Sc2Nb3C4
Alexandria ALEXAlex-ID: agm005689463 · 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_761_spg12
Sc2Nb2C3 Sc(NbC)4 ScNb2C3
2023-06-26 19:37:11.207885
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689463).
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 agm005689463
data_agm005689463
_cell_length_a 3.19410
_cell_length_b 5.54484
_cell_length_c 7.27465
_cell_angle_alpha 75.21678
_cell_angle_beta 77.31821
_cell_angle_gamma 73.26031
_cell_volume 117.80250
_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 0.60438 0.18423 0.60701 1.00000
Sc2 Sc 0.39562 0.81577 0.39299 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.21020 0.39627 0.18333 1.00000
Nb3 Nb 0.78980 0.60373 0.81667 1.00000
C1 C 0.79748 0.10988 0.29516 1.00000
C2 C 0.20252 0.89012 0.70484 1.00000
C3 C 0.39619 0.30382 0.90380 1.00000
C4 C 0.60381 0.69618 0.09620 1.00000
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