ErNb2C3
Alexandria ALEXAlex-ID: agm035194497 · 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
AB2C3_935_spg12
Er3C4 Nb6C5
2025-04-15 04:32:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035194497).
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 agm035194497
data_agm035194497
_cell_length_a 5.65717
_cell_length_b 5.65717
_cell_length_c 5.71605
_cell_angle_alpha 80.47289
_cell_angle_beta 99.52711
_cell_angle_gamma 60.06095
_cell_volume 149.60221
_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
Er1 Er 0.66625 0.66625 0.50000 1.00000
Er2 Er 0.33375 0.33375 0.50000 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
Nb2 Nb 0.00000 0.00000 0.50000 1.00000
Nb3 Nb 0.83323 0.83323 0.00000 1.00000
Nb4 Nb 0.16677 0.16677 0.00000 1.00000
C1 C 0.76756 0.23244 0.76771 1.00000
C2 C 0.23244 0.76756 0.23229 1.00000
C3 C 0.08843 0.59005 0.76520 1.00000
C4 C 0.40995 0.91157 0.76520 1.00000
C5 C 0.59005 0.08843 0.23480 1.00000
C6 C 0.91157 0.40995 0.23480 1.00000
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