Pm6AgRh2
Alexandria ALEXAlex-ID: agm005802853 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_798_spg71
Pm5Rh3 Pm4AgRh Pm7Rh3
2023-07-09 07:05:58.437439
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802853).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005802853
data_agm005802853
_cell_length_a 8.65951
_cell_length_b 8.65952
_cell_length_c 8.65952
_cell_angle_alpha 104.65548
_cell_angle_beta 110.22024
_cell_angle_gamma 113.66346
_cell_volume 496.76101
_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 0.53389 0.71232 0.82157 1.00000
Pm2 Pm 0.46611 0.28768 0.17843 1.00000
Pm3 Pm 0.10925 0.28768 0.82157 1.00000
Pm4 Pm 0.89075 0.71232 0.17843 1.00000
Pm5 Pm 0.80293 0.76847 0.57140 1.00000
Pm6 Pm 0.19707 0.23153 0.42860 1.00000
Pm7 Pm 0.19707 0.76847 0.96554 1.00000
Pm8 Pm 0.80293 0.23153 0.03446 1.00000
Pm9 Pm 0.69397 0.36539 0.67141 1.00000
Pm10 Pm 0.30603 0.63461 0.32859 1.00000
Pm11 Pm 0.30603 0.97744 0.67141 1.00000
Pm12 Pm 0.69397 0.02256 0.32859 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.36775 0.86775 1.00000
Rh2 Rh 0.50000 0.63225 0.13225 1.00000
Rh3 Rh 0.66353 0.00000 0.66353 1.00000
Rh4 Rh 0.33647 1.00000 0.33647 1.00000
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