Pm7SiGe4
Alexandria ALEXAlex-ID: agm003664514 · 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
AB4C7_89_spg12
Pm5Ge3 Pm3Si2 Pm4Ge3
2022-04-27 21:03:24.179146
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664514).
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 agm003664514
data_agm003664514
_cell_length_a 5.64040
_cell_length_b 8.68524
_cell_length_c 7.83525
_cell_angle_alpha 68.94937
_cell_angle_beta 68.90364
_cell_angle_gamma 71.05187
_cell_volume 325.68391
_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 0.81718 0.94017 0.42546 1.00000
Pm2 Pm 0.18282 0.05983 0.57454 1.00000
Pm3 Pm 0.05221 0.65475 0.24083 1.00000
Pm4 Pm 0.94779 0.34525 0.75917 1.00000
Pm5 Pm 0.32348 0.57555 0.77748 1.00000
Pm6 Pm 0.50000 0.00000 0.00000 1.00000
Pm7 Pm 0.67652 0.42445 0.22252 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.57291 0.23415 0.62004 1.00000
Ge2 Ge 0.42709 0.76585 0.37996 1.00000
Ge3 Ge 0.73808 0.68850 0.83534 1.00000
Ge4 Ge 0.26192 0.31150 0.16466 1.00000
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