LaY7Tm4
Alexandria ALEXAlex-ID: agm062908786 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_521_spg2
Y5Tm LaY2 YTm2
2025-01-03 21:05:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062908786).
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 agm062908786
data_agm062908786
_cell_length_a 6.20418
_cell_length_b 7.18566
_cell_length_c 8.84512
_cell_angle_alpha 89.95427
_cell_angle_beta 76.38761
_cell_angle_gamma 89.96201
_cell_volume 383.24890
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.49901 0.25298 0.99867 1.00000
Y2 Y 0.50099 0.74702 0.00133 1.00000
Y3 Y 0.71972 0.25329 0.33705 1.00000
Y4 Y 0.28028 0.74671 0.66295 1.00000
Y5 Y 0.22295 0.00021 0.33676 1.00000
Y6 Y 0.00000 0.50000 0.00000 1.00000
Y7 Y 0.77705 0.99979 0.66324 1.00000
Tm1 Tm 0.27667 0.25322 0.66399 1.00000
Tm2 Tm 0.72333 0.74678 0.33601 1.00000
Tm3 Tm 0.22028 0.50004 0.33702 1.00000
Tm4 Tm 0.77972 0.49996 0.66298 1.00000
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