Y2C3
Alexandria ALEXAlex-ID: agm005506593 · 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_912_spg43
Y4C7 Y4C5
2023-03-19 17:38:25.876101
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506593).
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 agm005506593
data_agm005506593
_cell_length_a 6.95645
_cell_length_b 6.67553
_cell_length_c 6.32104
_cell_angle_alpha 64.65476
_cell_angle_beta 60.14057
_cell_angle_gamma 55.20467
_cell_volume 204.73568
_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
Y1 Y 0.84684 0.18732 0.62698 1.00000
Y2 Y 0.33887 0.62698 0.18732 1.00000
Y3 Y 0.62302 0.91113 0.40316 1.00000
Y4 Y 0.06268 0.40316 0.91113 1.00000
C1 C 0.02012 0.03373 0.25778 1.00000
C2 C 0.68837 0.25778 0.03373 1.00000
C3 C 0.99222 0.56163 0.22988 1.00000
C4 C 0.21627 0.22988 0.56163 1.00000
C5 C 0.10581 0.39419 0.39419 1.00000
C6 C 0.85581 0.14419 0.14419 1.00000
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