Pm3HoPd3
Alexandria ALEXAlex-ID: agm003545653 · 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
AB3C3_288_spg12
Pm7Pd3 HoPd PmPd
2022-04-03 07:46:28.492765
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545653).
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 agm003545653
data_agm003545653
_cell_length_a 7.09508
_cell_length_b 7.09508
_cell_length_c 7.22491
_cell_angle_alpha 91.27193
_cell_angle_beta 91.27193
_cell_angle_gamma 97.13723
_cell_volume 360.68208
_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 0.65332 0.65332 0.36965 1.00000
Pm2 Pm 0.17573 0.82427 0.50000 1.00000
Pm3 Pm 0.82427 0.17573 0.50000 1.00000
Pm4 Pm 0.25387 0.74613 0.00000 1.00000
Pm5 Pm 0.74613 0.25387 0.00000 1.00000
Pm6 Pm 0.34668 0.34668 0.63035 1.00000
Ho1 Ho 0.74469 0.74469 0.87509 1.00000
Ho2 Ho 0.25531 0.25531 0.12491 1.00000
Pd1 Pd 0.93710 0.93710 0.18738 1.00000
Pd2 Pd 0.97703 0.50146 0.71808 1.00000
Pd3 Pd 0.50146 0.97703 0.71808 1.00000
Pd4 Pd 0.02297 0.49854 0.28192 1.00000
Pd5 Pd 0.49854 0.02297 0.28192 1.00000
Pd6 Pd 0.06290 0.06290 0.81262 1.00000
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