Pr2Co5B4
Alexandria ALEXAlex-ID: agm002199899 · 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
A2B4C5_0_spg12
Pr(CoB)2 Co
2018-07-14 10:06:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199899).
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 agm002199899
data_agm002199899
_cell_length_a 5.09778
_cell_length_b 5.52546
_cell_length_c 6.06607
_cell_angle_alpha 72.22377
_cell_angle_beta 65.17139
_cell_angle_gamma 62.53261
_cell_volume 136.26381
_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 0.28541 0.78979 0.63917 1.00000
Pr2 Pr 0.71459 0.21021 0.36083 1.00000
B1 B 0.39934 0.05830 0.14303 1.00000
B2 B 0.60066 0.94170 0.85697 1.00000
B3 B 0.77766 0.59171 0.85295 1.00000
B4 B 0.22234 0.40829 0.14705 1.00000
Co1 Co 0.17180 0.26464 0.88279 1.00000
Co2 Co 0.82820 0.73536 0.11721 1.00000
Co3 Co 0.00000 0.50000 0.50000 1.00000
Co4 Co 0.68043 0.26479 0.88294 1.00000
Co5 Co 0.31957 0.73521 0.11706 1.00000
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