Er2CdCu6H
Alexandria ALEXAlex-ID: agm007625656 · 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
ABC2D6_224_spg148
Er2Cu7 ErCdCu4 ErH2 Cu
2024-05-29 10:16:16.039937
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007625656).
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 agm007625656
data_agm007625656
_cell_length_a 5.38167
_cell_length_b 5.38167
_cell_length_c 6.96621
_cell_angle_alpha 67.44491
_cell_angle_beta 67.44491
_cell_angle_gamma 59.38804
_cell_volume 155.79584
_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 0.28286 0.28286 0.15742 1.00000
Er2 Er 0.71714 0.71714 0.84258 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.72819 0.72819 0.36027 1.00000
Cu2 Cu 0.72638 0.22088 0.34017 1.00000
Cu3 Cu 0.22088 0.72638 0.34017 1.00000
Cu4 Cu 0.77912 0.27362 0.65983 1.00000
Cu5 Cu 0.27362 0.77912 0.65983 1.00000
Cu6 Cu 0.27181 0.27181 0.63973 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
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