Nd2BiH7
Alexandria ALEXAlex-ID: agm006209124 · 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
AB2C7_1011_spg123
BiH2 NdH3 Bi
2023-12-30 09:19:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209124).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006209124
data_agm006209124
_cell_length_a 4.87061
_cell_length_b 3.52081
_cell_length_c 11.27706
_cell_angle_alpha 98.03704
_cell_angle_beta 77.75434
_cell_angle_gamma 133.61711
_cell_volume 136.81259
_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
H1 H 0.00773 0.77674 0.33861 1.00000
H2 H 0.93869 0.93472 0.65508 1.00000
H3 H 0.34958 0.43407 0.81506 1.00000
H4 H 0.07600 0.27145 0.17903 1.00000
H5 H 0.47280 0.85478 0.49683 1.00000
H6 H 0.59701 0.27773 0.17857 1.00000
H7 H 0.87063 0.44025 0.81458 1.00000
Nd1 Nd 0.42548 0.94546 0.69332 1.00000
Nd2 Nd 0.52110 0.76621 0.30029 1.00000
Bi1 Bi 0.97337 0.35598 0.99680 1.00000
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