Pr4Bi2N
Alexandria ALEXAlex-ID: agm003444585 · 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
AB2C4_1034_spg12
Pr5Bi3N Pr6N5 Pr5Bi3
2022-02-18 09:02:54.321785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003444585).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003444585
data_agm003444585
_cell_length_a 4.10085
_cell_length_b 8.60386
_cell_length_c 8.52148
_cell_angle_alpha 134.28126
_cell_angle_beta 103.92305
_cell_angle_gamma 90.00000
_cell_volume 202.73053
_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 0.94733 0.21057 0.89466 1.00000
Pr2 Pr 0.05267 0.78943 0.10534 1.00000
Pr3 Pr 0.64328 0.23195 0.28655 1.00000
Pr4 Pr 0.35672 0.76805 0.71345 1.00000
Bi1 Bi 0.65947 0.64653 0.31895 1.00000
Bi2 Bi 0.34053 0.35347 0.68105 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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