Pm3Mg2Ni7
Alexandria ALEXAlex-ID: agm024320239 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
Pm2MgNi2 PmMgNi4 PmNi
2025-05-17 00:15:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024320239).
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 agm024320239
data_agm024320239
_cell_length_a 8.71953
_cell_length_b 8.71953
_cell_length_c 8.71953
_cell_angle_alpha 35.27536
_cell_angle_beta 35.27536
_cell_angle_gamma 35.27536
_cell_volume 197.51109
_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 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.13949 0.13949 0.13949 1.00000
Pm3 Pm 0.86051 0.86051 0.86051 1.00000
Mg1 Mg 0.33282 0.33282 0.33282 1.00000
Mg2 Mg 0.66718 0.66718 0.66718 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.08895 0.58458 0.58458 1.00000
Ni3 Ni 0.58458 0.58458 0.08895 1.00000
Ni4 Ni 0.58458 0.08895 0.58458 1.00000
Ni5 Ni 0.91105 0.41542 0.41542 1.00000
Ni6 Ni 0.41542 0.91105 0.41542 1.00000
Ni7 Ni 0.41542 0.41542 0.91105 1.00000
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