Pm3(YTm2)2
Alexandria ALEXAlex-ID: agm005592004 · 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
A2B3C4_899_spg2
PmY2 PmTm2
2023-06-29 06:30:04.359085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005592004).
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 agm005592004
data_agm005592004
_cell_length_a 5.04451
_cell_length_b 7.95843
_cell_length_c 14.69020
_cell_angle_alpha 144.43332
_cell_angle_beta 90.00000
_cell_angle_gamma 108.47728
_cell_volume 287.63817
_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
Pm1 Pm 0.55341 0.10682 0.66624 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.44659 0.89318 0.33376 1.00000
Y1 Y 0.77502 0.55005 0.33176 1.00000
Y2 Y 0.22498 0.44995 0.66824 1.00000
Tm1 Tm 0.66825 0.33650 0.00055 1.00000
Tm2 Tm 0.33175 0.66350 0.99945 1.00000
Tm3 Tm 0.89044 0.78088 0.66832 1.00000
Tm4 Tm 0.10956 0.21912 0.33168 1.00000
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