NdErB8
Alexandria ALEXAlex-ID: agm024272214 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC8_15_spg65
ErB4 NdB4
2024-08-25 12:04:08.787813
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024272214).
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 agm024272214
data_agm024272214
_cell_length_a 7.15692
_cell_length_b 7.15692
_cell_length_c 4.05951
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 91.26760
_cell_volume 207.88318
_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
Nd1 Nd 0.68353 0.68353 0.50000 1.00000
Nd2 Nd 0.31647 0.31647 0.50000 1.00000
Er1 Er 0.81918 0.18082 0.50000 1.00000
Er2 Er 0.18082 0.81918 0.50000 1.00000
B1 B 0.50000 0.00000 0.29599 1.00000
B2 B 0.00000 0.50000 0.29599 1.00000
B3 B 0.50000 0.00000 0.70401 1.00000
B4 B 0.00000 0.50000 0.70401 1.00000
B5 B 0.45857 0.82443 0.00000 1.00000
B6 B 0.54143 0.17557 0.00000 1.00000
B7 B 0.03633 0.32439 0.00000 1.00000
B8 B 0.96367 0.67561 0.00000 1.00000
B9 B 0.32439 0.03633 0.00000 1.00000
B10 B 0.67561 0.96367 0.00000 1.00000
B11 B 0.82443 0.45857 0.00000 1.00000
B12 B 0.17557 0.54143 0.00000 1.00000
B13 B 0.91231 0.91231 0.00000 1.00000
B14 B 0.08769 0.08769 0.00000 1.00000
B15 B 0.58689 0.41311 0.00000 1.00000
B16 B 0.41311 0.58689 0.00000 1.00000
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