Ac2Pm2Pt2Rh
Alexandria ALEXAlex-ID: agm004544643 · 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
AB2C2D2_214_spg71
Ac6Pt5 Pm5Rh3 PmPt
2022-06-23 00:47:53.739967
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544643).
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 agm004544643
data_agm004544643
_cell_length_a 4.10019
_cell_length_b 8.09274
_cell_length_c 7.46065
_cell_angle_alpha 63.09177
_cell_angle_beta 74.05061
_cell_angle_gamma 75.32562
_cell_volume 209.84236
_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
Ac1 Ac 0.54231 0.22747 0.68791 1.00000
Ac2 Ac 0.45769 0.77253 0.31209 1.00000
Pm1 Pm 0.21154 0.70738 0.86954 1.00000
Pm2 Pm 0.78846 0.29262 0.13046 1.00000
Pt1 Pt 0.12121 0.44779 0.30979 1.00000
Pt2 Pt 0.87879 0.55221 0.69021 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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