Y4ScAg
Alexandria ALEXAlex-ID: agm003752829 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1218_spg15
Y Sc YAg
2022-04-19 01:03:13.734449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752829).
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 agm003752829
data_agm003752829
_cell_length_a 5.93071
_cell_length_b 8.98040
_cell_length_c 8.27961
_cell_angle_alpha 114.72943
_cell_angle_beta 99.81160
_cell_angle_gamma 110.25405
_cell_volume 349.10957
_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 0.05136 0.20166 0.82115 1.00000
Y2 Y 0.76541 0.70248 0.62306 1.00000
Y3 Y 0.26980 0.61950 0.82115 1.00000
Y4 Y 0.35766 0.92058 0.62306 1.00000
Y5 Y 0.64234 0.07942 0.37694 1.00000
Y6 Y 0.73020 0.38050 0.17885 1.00000
Y7 Y 0.23459 0.29752 0.37694 1.00000
Y8 Y 0.94864 0.79834 0.17885 1.00000
Sc1 Sc 0.36384 0.61384 0.22768 1.00000
Sc2 Sc 0.63616 0.38616 0.77232 1.00000
Ag1 Ag 0.25013 0.00013 0.00027 1.00000
Ag2 Ag 0.74987 0.99987 0.99973 1.00000
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