TbY3Mg
Alexandria ALEXAlex-ID: agm005774914 · 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
ABC3_4938_spg12
Tb5Y Tb2Y7 Y2Mg
2023-07-07 19:43:49.077214
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774914).
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 agm005774914
data_agm005774914
_cell_length_a 3.68586
_cell_length_b 6.70116
_cell_length_c 12.90249
_cell_angle_alpha 87.03787
_cell_angle_beta 90.01593
_cell_angle_gamma 74.04063
_cell_volume 305.95864
_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
Tb1 Tb 0.23477 0.53093 0.75975 1.00000
Tb2 Tb 0.76523 0.46907 0.24025 1.00000
Y1 Y 0.14696 0.70601 0.44077 1.00000
Y2 Y 0.36511 0.26961 0.02331 1.00000
Y3 Y 0.03488 0.92969 0.18826 1.00000
Y4 Y 0.85304 0.29399 0.55923 1.00000
Y5 Y 0.96512 0.07031 0.81174 1.00000
Y6 Y 0.63489 0.73039 0.97669 1.00000
Mg1 Mg 0.56139 0.87715 0.62634 1.00000
Mg2 Mg 0.43861 0.12285 0.37366 1.00000
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