HoEr12C7
Alexandria ALEXAlex-ID: agm005807312 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
Ho4C5 HoEr3C2 Er2C
2023-07-15 14:28:50.328213
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807312).
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 agm005807312
data_agm005807312
_cell_length_a 8.03059
_cell_length_b 8.03059
_cell_length_c 8.03059
_cell_angle_alpha 107.68041
_cell_angle_beta 107.68039
_cell_angle_gamma 107.68040
_cell_volume 423.04832
_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
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.92982 0.30884 0.78597 1.00000
Er2 Er 0.69116 0.21403 0.07018 1.00000
Er3 Er 0.44303 0.15939 0.37427 1.00000
Er4 Er 0.84061 0.62573 0.55697 1.00000
Er5 Er 0.21403 0.07018 0.69116 1.00000
Er6 Er 0.62573 0.55697 0.84061 1.00000
Er7 Er 0.37427 0.44303 0.15939 1.00000
Er8 Er 0.78597 0.92982 0.30884 1.00000
Er9 Er 0.15939 0.37427 0.44303 1.00000
Er10 Er 0.55697 0.84061 0.62573 1.00000
Er11 Er 0.30884 0.78597 0.92982 1.00000
Er12 Er 0.07018 0.69116 0.21403 1.00000
C1 C 0.95886 0.64521 0.88377 1.00000
C2 C 0.35479 0.11623 0.04114 1.00000
C3 C 0.11623 0.04114 0.35479 1.00000
C4 C 0.50000 0.50000 0.50000 1.00000
C5 C 0.88377 0.95886 0.64521 1.00000
C6 C 0.64521 0.88377 0.95886 1.00000
C7 C 0.04114 0.35479 0.11623 1.00000
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