ErZnGa2Cu
Alexandria ALEXAlex-ID: agm045475835 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_145_spg1
ErZn9Cu2 Er2Ga5Cu3 Er3(ZnGa)4 ErGa3
2025-04-13 22:05:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045475835).
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 agm045475835
data_agm045475835
_cell_length_a 4.05141
_cell_length_b 4.12650
_cell_length_c 6.02102
_cell_angle_alpha 109.78382
_cell_angle_beta 109.64755
_cell_angle_gamma 89.99318
_cell_volume 88.46728
_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 0.44334 0.44384 0.88726 1.00000
Zn1 Zn 0.19374 0.69115 0.38626 1.00000
Ga1 Ga 0.70139 0.20383 0.40384 1.00000
Ga2 Ga 0.04647 0.04625 0.09439 1.00000
Cu1 Cu 0.82720 0.82707 0.65252 1.00000
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