ErCu4Ni
Alexandria ALEXAlex-ID: agm002226862 · 空间群: F-43m (#216)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_12_spg216
Er2Cu7 Er2Cu4Ni3 Cu
2018-06-28 21:46:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002226862).
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 agm002226862
data_agm002226862
_cell_length_a 4.92280
_cell_length_b 4.92295
_cell_length_c 4.92321
_cell_angle_alpha 59.97752
_cell_angle_beta 59.97726
_cell_angle_gamma 59.97667
_cell_volume 84.32288
_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
Ni1 Ni 0.00001 0.00001 0.00000 1.00000
Cu1 Cu 0.12208 0.62595 0.62596 1.00000
Cu2 Cu 0.62594 0.12209 0.62596 1.00000
Cu3 Cu 0.62597 0.62598 0.62598 1.00000
Cu4 Cu 0.62594 0.62596 0.12209 1.00000
Er1 Er 0.25003 0.25003 0.25001 1.00000
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