Ac2ScGe2Pt7
Alexandria ALEXAlex-ID: agm034333635 · 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
AB2C2D7_13_spg12
AcGePt2 ScPt3
2024-11-29 14:01:49.833458
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034333635).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm034333635
data_agm034333635
_cell_length_a 4.15838
_cell_length_b 4.15838
_cell_length_c 14.18553
_cell_angle_alpha 85.79718
_cell_angle_beta 94.20282
_cell_angle_gamma 90.38212
_cell_volume 243.98066
_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
Ac1 Ac 0.92167 0.07833 0.14998 1.00000
Ac2 Ac 0.07833 0.92167 0.85002 1.00000
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Ge1 Ge 0.55999 0.44001 0.73851 1.00000
Ge2 Ge 0.44001 0.55999 0.26149 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.41938 0.58062 0.08295 1.00000
Pt3 Pt 0.58062 0.41938 0.91705 1.00000
Pt4 Pt 0.46559 0.03522 0.36021 1.00000
Pt5 Pt 0.96478 0.53441 0.36021 1.00000
Pt6 Pt 0.03522 0.46559 0.63979 1.00000
Pt7 Pt 0.53441 0.96478 0.63979 1.00000
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