Pm2Y12Tm
Alexandria ALEXAlex-ID: agm005775037 · 空间群: Cmme (#67)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_71_spg67
Pm2Y7 Y5Tm
2023-07-18 10:49:21.332869
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005775037).
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 agm005775037
data_agm005775037
_cell_length_a 6.70686
_cell_length_b 6.70686
_cell_length_c 24.82045
_cell_angle_alpha 90.00138
_cell_angle_beta 89.99862
_cell_angle_gamma 63.70381
_cell_volume 1000.93683
_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 0.50000 1.00000 0.26907 1.00000
Pm2 Pm 0.00000 0.50000 0.26463 1.00000
Pm3 Pm 1.00000 0.50000 0.73093 1.00000
Pm4 Pm 0.50000 0.00000 0.73537 1.00000
Y1 Y 0.50000 0.50000 0.80210 1.00000
Y2 Y 0.00000 1.00000 0.80210 1.00000
Y3 Y 0.75040 0.74960 0.87426 1.00000
Y4 Y 0.25024 0.75025 0.92422 1.00000
Y5 Y 0.00000 1.00000 0.32687 1.00000
Y6 Y 0.24976 0.74975 0.07578 1.00000
Y7 Y 0.76411 0.26410 0.56084 1.00000
Y8 Y 0.50000 0.50000 0.32687 1.00000
Y9 Y 0.24960 0.25040 0.87426 1.00000
Y10 Y 0.74960 0.75040 0.12574 1.00000
Y11 Y 0.26102 0.23898 0.58512 1.00000
Y12 Y 0.73589 0.23590 0.43916 1.00000
Y13 Y 1.00000 0.00000 0.67313 1.00000
Y14 Y 0.23898 0.26102 0.41488 1.00000
Y15 Y 0.25040 0.24960 0.12574 1.00000
Y16 Y 0.76101 0.73899 0.41488 1.00000
Y17 Y 0.73899 0.76101 0.58512 1.00000
Y18 Y 1.00000 0.00000 0.19790 1.00000
Y19 Y 0.23590 0.73589 0.56084 1.00000
Y20 Y 0.50000 0.50000 0.67313 1.00000
Y21 Y 0.74975 0.24976 0.92422 1.00000
Y22 Y 0.50000 0.50000 0.19790 1.00000
Y23 Y 0.26410 0.76411 0.43916 1.00000
Y24 Y 0.75025 0.25024 0.07578 1.00000
Tm1 Tm 0.50000 0.00000 0.00004 1.00000
Tm2 Tm 0.00000 0.50000 0.99996 1.00000
