PrBiH
Alexandria ALEXAlex-ID: agm003604237 · 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
ABC_30_spg11
PrBi2 PrBi PrH3
2022-03-07 05:06:01.149344
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604237).
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 agm003604237
data_agm003604237
_cell_length_a 4.18715
_cell_length_b 6.32446
_cell_length_c 7.00693
_cell_angle_alpha 74.62475
_cell_angle_beta 53.22842
_cell_angle_gamma 70.70362
_cell_volume 139.72668
_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
Pr1 Pr 0.04208 0.84616 0.73493 1.00000
Pr2 Pr 0.31751 0.44267 0.16113 1.00000
Bi1 Bi 0.39031 0.29643 0.66071 1.00000
Bi2 Bi 0.96928 0.99241 0.23536 1.00000
H1 H 0.83535 0.59562 0.06713 1.00000
H2 H 0.52425 0.69322 0.82894 1.00000
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