Er3NiPt2
Alexandria ALEXAlex-ID: agm005706964 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Er2NiPt ErPt
2023-08-23 12:31:07.707450
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706964).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005706964
data_agm005706964
_cell_length_a 4.07748
_cell_length_b 11.23335
_cell_length_c 11.29463
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 517.33607
_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 0.25000 0.37534 0.04923 1.00000
Er2 Er 0.75000 0.62466 0.95077 1.00000
Er3 Er 0.75000 0.87534 0.45077 1.00000
Er4 Er 0.25000 0.12466 0.54923 1.00000
Er5 Er 0.25000 0.69390 0.21790 1.00000
Er6 Er 0.75000 0.30610 0.78210 1.00000
Er7 Er 0.75000 0.19390 0.28210 1.00000
Er8 Er 0.25000 0.80610 0.71790 1.00000
Er9 Er 0.25000 0.44131 0.37865 1.00000
Er10 Er 0.75000 0.55869 0.62135 1.00000
Er11 Er 0.75000 0.94131 0.12135 1.00000
Er12 Er 0.25000 0.05869 0.87865 1.00000
Ni1 Ni 0.25000 0.12587 0.12473 1.00000
Ni2 Ni 0.75000 0.87413 0.87527 1.00000
Ni3 Ni 0.75000 0.62587 0.37527 1.00000
Ni4 Ni 0.25000 0.37413 0.62473 1.00000
Pt1 Pt 0.25000 0.69084 0.49381 1.00000
Pt2 Pt 0.75000 0.30916 0.50619 1.00000
Pt3 Pt 0.75000 0.19084 0.00619 1.00000
Pt4 Pt 0.25000 0.80916 0.99381 1.00000
Pt5 Pt 0.25000 0.00218 0.31648 1.00000
Pt6 Pt 0.75000 0.99782 0.68352 1.00000
Pt7 Pt 0.75000 0.50218 0.18352 1.00000
Pt8 Pt 0.25000 0.49782 0.81648 1.00000
