Pm6Hg5Rh
Alexandria ALEXAlex-ID: agm006114850 · 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
AB5C6_53_spg71
Pm4HgRh Pm11Hg9Rh4 PmHg
2023-09-04 15:51:51.773779
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114850).
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 agm006114850
data_agm006114850
_cell_length_a 5.31792
_cell_length_b 7.55713
_cell_length_c 9.17850
_cell_angle_alpha 65.68723
_cell_angle_beta 73.16186
_cell_angle_gamma 89.99929
_cell_volume 318.72040
_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
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.68373 0.18312 0.63380 1.00000
Hg2 Hg 0.33264 0.33304 0.33397 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.66736 0.66696 0.66603 1.00000
Hg5 Hg 0.31627 0.81688 0.36620 1.00000
Pm1 Pm 0.84311 0.60819 0.31276 1.00000
Pm2 Pm 0.84309 0.07906 0.31280 1.00000
Pm3 Pm 0.50001 0.77031 0.99998 1.00000
Pm4 Pm 0.49999 0.22969 0.00002 1.00000
Pm5 Pm 0.15691 0.92094 0.68720 1.00000
Pm6 Pm 0.15689 0.39181 0.68724 1.00000
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