Pm3Y4Tm5
Alexandria ALEXAlex-ID: agm005694803 · 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
A3B4C5_119_spg2
PmY2 YTm2 PmTm2
2023-06-29 13:46:32.581573
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694803).
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 agm005694803
data_agm005694803
_cell_length_a 7.11478
_cell_length_b 11.24210
_cell_length_c 12.81474
_cell_angle_alpha 151.29831
_cell_angle_beta 56.39488
_cell_angle_gamma 129.23347
_cell_volume 381.28214
_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 0.58101 0.16445 0.33213 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.41899 0.83555 0.66787 1.00000
Y1 Y 0.91741 0.83556 0.66813 1.00000
Y2 Y 0.83074 0.66336 0.83219 1.00000
Y3 Y 0.16926 0.33664 0.16781 1.00000
Y4 Y 0.08259 0.16444 0.33187 1.00000
Tm1 Tm 0.33178 0.66683 0.83509 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.74973 0.49943 0.99988 1.00000
Tm4 Tm 0.25027 0.50057 0.00012 1.00000
Tm5 Tm 0.66822 0.33317 0.16491 1.00000
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