Pm5ErCd6
Alexandria ALEXAlex-ID: agm006088074 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
ErCd PmCd
2023-09-16 10:33:29.139037
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088074).
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 agm006088074
data_agm006088074
_cell_length_a 5.36826
_cell_length_b 7.67819
_cell_length_c 8.50392
_cell_angle_alpha 89.99927
_cell_angle_beta 71.60683
_cell_angle_gamma 89.99755
_cell_volume 332.61252
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.66875 0.50000 0.66240 1.00000
Pm2 Pm 0.33419 1.00000 0.33176 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Pm4 Pm 0.66581 0.00000 0.66824 1.00000
Pm5 Pm 0.33125 0.50000 0.33760 1.00000
Cd1 Cd 0.83668 0.75477 0.32683 1.00000
Cd2 Cd 0.83664 0.24523 0.32683 1.00000
Cd3 Cd 0.50002 0.24412 0.00000 1.00000
Cd4 Cd 0.49998 0.75588 1.00000 1.00000
Cd5 Cd 0.16336 0.75477 0.67317 1.00000
Cd6 Cd 0.16332 0.24523 0.67317 1.00000
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