Pm2Dy4Tm5
Alexandria ALEXAlex-ID: agm005651244 · 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
A2B4C5_541_spg12
DyTm5 Pm3Dy5 PmTm2
2023-06-24 07:57:46.467193
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651244).
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 agm005651244
data_agm005651244
_cell_length_a 3.53355
_cell_length_b 9.35383
_cell_length_c 11.72601
_cell_angle_alpha 106.38464
_cell_angle_beta 81.36941
_cell_angle_gamma 112.21509
_cell_volume 343.81954
_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 0.86284 0.27012 0.81671 1.00000
Pm2 Pm 0.13716 0.72988 0.18329 1.00000
Dy1 Dy 0.77158 0.45378 0.36442 1.00000
Dy2 Dy 0.31447 0.36087 0.09248 1.00000
Dy3 Dy 0.22842 0.54622 0.63558 1.00000
Dy4 Dy 0.68553 0.63913 0.90752 1.00000
Tm1 Tm 0.95516 0.09202 0.27364 1.00000
Tm2 Tm 0.04484 0.90798 0.72636 1.00000
Tm3 Tm 0.59089 0.81964 0.45652 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Tm5 Tm 0.40911 0.18036 0.54348 1.00000
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