Er6CuAg3Pt2
Alexandria ALEXAlex-ID: agm048894837 · 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
AB2C3D6_407_spg2
Er4Ag3Pt Er2CuPt
2024-12-10 17:38:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048894837).
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 agm048894837
data_agm048894837
_cell_length_a 7.81908
_cell_length_b 7.81908
_cell_length_c 8.77020
_cell_angle_alpha 57.44069
_cell_angle_beta 122.55931
_cell_angle_gamma 143.06593
_cell_volume 265.31195
_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
Er1 Er 0.42127 0.57873 0.26484 1.00000
Er2 Er 0.24557 0.75443 0.73343 1.00000
Er3 Er 0.57873 0.42127 0.73516 1.00000
Er4 Er 0.09089 0.90911 0.26740 1.00000
Er5 Er 0.75443 0.24557 0.26657 1.00000
Er6 Er 0.90911 0.09089 0.73260 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.16234 0.83766 0.99104 1.00000
Ag2 Ag 0.83766 0.16234 0.00896 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.33878 0.66122 0.49964 1.00000
Pt2 Pt 0.66122 0.33878 0.50036 1.00000
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