Ca3(GePt)4
Alexandria ALEXAlex-ID: agm009696102 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
CaGePt Ca3(Ge3Pt2)2 Ca4Ge6Pt7
2024-03-23 16:43:49.062405
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009696102).
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 agm009696102
data_agm009696102
_cell_length_a 12.94941
_cell_length_b 12.94941
_cell_length_c 12.94941
_cell_angle_alpha 161.35134
_cell_angle_beta 160.52184
_cell_angle_gamma 27.09333
_cell_volume 231.43799
_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
Ca1 Ca 0.14455 0.64455 0.50000 1.00000
Ca2 Ca 0.85545 0.35545 0.50000 1.00000
Ca3 Ca 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.24758 0.24758 0.00000 1.00000
Ge2 Ge 0.40308 0.90308 0.50000 1.00000
Ge3 Ge 0.59692 0.09692 0.50000 1.00000
Ge4 Ge 0.75242 0.75242 0.00000 1.00000
Pt1 Pt 0.69481 0.19481 0.50000 1.00000
Pt2 Pt 0.05390 0.05390 0.00000 1.00000
Pt3 Pt 0.94610 0.94610 0.00000 1.00000
Pt4 Pt 0.30519 0.80519 0.50000 1.00000
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