Er7Co3H2
Alexandria ALEXAlex-ID: agm101395751 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_796_spg5
Er5Co2 ErCo ErH2
2025-05-16 10:03:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101395751).
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 agm101395751
data_agm101395751
_cell_length_a 5.76075
_cell_length_b 5.94166
_cell_length_c 8.66992
_cell_angle_alpha 72.49490
_cell_angle_beta 75.64149
_cell_angle_gamma 59.69233
_cell_volume 242.66138
_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 0.41098 0.59114 0.48210 1.00000
Er2 Er 0.34774 0.03565 0.69056 1.00000
Er3 Er 0.99866 0.63119 0.82909 1.00000
Er4 Er 0.65361 0.27761 0.85677 1.00000
Er5 Er 0.78423 0.96907 0.32105 1.00000
Er6 Er 0.45151 0.72322 0.08540 1.00000
Er7 Er 0.11230 0.33251 0.24791 1.00000
Co1 Co 0.00315 0.17676 0.03045 1.00000
Co2 Co 0.91607 0.08870 0.55765 1.00000
Co3 Co 0.92950 0.49286 0.54095 1.00000
H1 H 0.29596 0.50670 0.01297 1.00000
H2 H 0.59630 0.67459 0.84510 1.00000
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