Pm2DyTm7
Alexandria ALEXAlex-ID: agm005859986 · 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
AB2C7_318_spg71
DyTm5 Pm3Dy5 PmTm2
2023-07-26 16:10:20.512779
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005859986).
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 agm005859986
data_agm005859986
_cell_length_a 5.42765
_cell_length_b 8.32614
_cell_length_c 8.71468
_cell_angle_alpha 118.17364
_cell_angle_beta 71.82506
_cell_angle_gamma 90.07161
_cell_volume 324.79582
_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 0.22791 0.80377 0.54439 1.00000
Pm2 Pm 0.77209 0.19623 0.45561 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.86706 0.67406 0.26613 1.00000
Tm2 Tm 0.13294 0.32594 0.73387 1.00000
Tm3 Tm 0.64381 0.65497 0.71096 1.00000
Tm4 Tm 0.35619 0.34503 0.28904 1.00000
Tm5 Tm 0.38767 0.93805 0.22443 1.00000
Tm6 Tm 0.61233 0.06195 0.77557 1.00000
Tm7 Tm 0.50000 0.50000 0.00000 1.00000
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