Ac2PmRh2
Alexandria ALEXAlex-ID: agm005819081 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1478_spg36
Ac2Pm3Rh4 Ac3Rh2 Pm5Rh3
2023-08-04 08:50:17.777778
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005819081).
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 agm005819081
data_agm005819081
_cell_length_a 4.19515
_cell_length_b 10.20061
_cell_length_c 7.24633
_cell_angle_alpha 90.00002
_cell_angle_beta 106.82606
_cell_angle_gamma 90.00001
_cell_volume 296.81713
_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 0.35822 0.60765 0.71645 1.00000
Ac2 Ac 0.64177 0.10765 0.28355 1.00000
Ac3 Ac 0.35830 0.23841 0.71660 1.00000
Ac4 Ac 0.64169 0.73840 0.28339 1.00000
Pm1 Pm 0.09655 0.42322 0.19310 1.00000
Pm2 Pm 0.90345 0.92323 0.80690 1.00000
Rh1 Rh 0.00007 0.17323 0.00014 1.00000
Rh2 Rh 0.99993 0.67324 0.99987 1.00000
Rh3 Rh 0.26192 0.92343 0.52383 1.00000
Rh4 Rh 0.73808 0.42343 0.47617 1.00000
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