Pm5Ge5Pt2
Alexandria ALEXAlex-ID: agm005659592 · 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
A2B5C5_26_spg12
PmGePt PmGe
2023-06-19 00:10:53.427733
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659592).
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 agm005659592
data_agm005659592
_cell_length_a 4.33810
_cell_length_b 8.02534
_cell_length_c 8.78467
_cell_angle_alpha 88.71652
_cell_angle_beta 75.70507
_cell_angle_gamma 74.31936
_cell_volume 285.01402
_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 0.50000 0.50000 1.00000
Pm2 Pm 0.69187 0.69543 0.92083 1.00000
Pm3 Pm 0.37440 0.92659 0.32461 1.00000
Pm4 Pm 0.62560 0.07341 0.67539 1.00000
Pm5 Pm 0.30813 0.30457 0.07917 1.00000
Ge1 Ge 0.72554 0.21401 0.33492 1.00000
Ge2 Ge 0.94453 0.30169 0.80924 1.00000
Ge3 Ge 0.05547 0.69831 0.19076 1.00000
Ge4 Ge 0.27446 0.78599 0.66508 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.38605 0.47266 0.75524 1.00000
Pt2 Pt 0.61395 0.52734 0.24476 1.00000
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