Ce3Ge2Sb2Pt3
Alexandria ALEXAlex-ID: agm016076151 · 空间群: I2_13 (#199)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D3_5_spg199
Ce3Sb4Pt3 CeGe2Pt CeGePt
2024-11-07 11:02:33.918006
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016076151).
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 agm016076151
data_agm016076151
_cell_length_a 8.39586
_cell_length_b 8.39586
_cell_length_c 8.39586
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 455.58930
_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
Ce1 Ce 0.25000 0.61544 0.36544 1.00000
Ce2 Ce 0.75000 0.88456 0.13456 1.00000
Ce3 Ce 0.36544 0.25000 0.61544 1.00000
Ce4 Ce 0.13456 0.75000 0.88456 1.00000
Ce5 Ce 0.61544 0.36544 0.25000 1.00000
Ce6 Ce 0.88456 0.13456 0.75000 1.00000
Ge1 Ge 0.50000 0.00000 0.33945 1.00000
Ge2 Ge 0.00000 0.33945 0.50000 1.00000
Ge3 Ge 0.33945 0.50000 0.00000 1.00000
Ge4 Ge 0.16055 0.16055 0.16055 1.00000
Sb1 Sb 0.00000 0.82444 0.50000 1.00000
Sb2 Sb 0.50000 0.00000 0.82444 1.00000
Sb3 Sb 0.82444 0.50000 0.00000 1.00000
Sb4 Sb 0.67556 0.67556 0.67556 1.00000
Pt1 Pt 0.25000 0.13728 0.88728 1.00000
Pt2 Pt 0.75000 0.36272 0.61272 1.00000
Pt3 Pt 0.88728 0.25000 0.13728 1.00000
Pt4 Pt 0.61272 0.75000 0.36272 1.00000
Pt5 Pt 0.13728 0.88728 0.25000 1.00000
Pt6 Pt 0.36272 0.61272 0.75000 1.00000
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