Pm3PrDyTm
Alexandria ALEXAlex-ID: agm005028124 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_404_spg11
Pm2Pr PmTm2 Pm3PrDy4 Pm
2022-07-07 05:27:59.488483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028124).
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 agm005028124
data_agm005028124
_cell_length_a 5.12936
_cell_length_b 8.06879
_cell_length_c 10.82688
_cell_angle_alpha 116.37258
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 401.46394
_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 0.75000 0.87225 0.04219 1.00000
Pm2 Pm 0.25000 0.12775 0.95781 1.00000
Pm3 Pm 0.25000 0.62808 0.45734 1.00000
Pm4 Pm 0.75000 0.37192 0.54266 1.00000
Pm5 Pm 0.75000 0.37841 0.20806 1.00000
Pm6 Pm 0.25000 0.62159 0.79194 1.00000
Pr1 Pr 0.25000 0.12301 0.29262 1.00000
Pr2 Pr 0.75000 0.87699 0.70738 1.00000
Dy1 Dy 0.25000 0.62467 0.12514 1.00000
Dy2 Dy 0.75000 0.37533 0.87486 1.00000
Tm1 Tm 0.25000 0.12510 0.62500 1.00000
Tm2 Tm 0.75000 0.87490 0.37500 1.00000
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