Pm4Dy2Er3
Alexandria ALEXAlex-ID: agm005591069 · 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
A2B3C4_1067_spg12
Pm3Dy2Er PmEr2
2023-06-30 21:29:31.901973
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005591069).
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 agm005591069
data_agm005591069
_cell_length_a 5.06813
_cell_length_b 6.18568
_cell_length_c 10.73365
_cell_angle_alpha 73.41598
_cell_angle_beta 89.98157
_cell_angle_gamma 65.82188
_cell_volume 291.58229
_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 0.66662 0.66689 0.88842 1.00000
Pm2 Pm 0.00063 0.99831 0.33322 1.00000
Pm3 Pm 0.99937 0.00169 0.66678 1.00000
Pm4 Pm 0.33338 0.33311 0.11158 1.00000
Dy1 Dy 0.33224 0.33574 0.77588 1.00000
Dy2 Dy 0.66776 0.66426 0.22412 1.00000
Er1 Er 0.33380 0.33209 0.44586 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
Er3 Er 0.66620 0.66791 0.55414 1.00000
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