Pr3(PaIr2)2
Alexandria ALEXAlex-ID: agm005669010 · 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
A2B3C4_448_spg12
Pr2PaIr2 PrPaIr2
2023-06-28 00:07:24.920667
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669010).
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 agm005669010
data_agm005669010
_cell_length_a 3.96339
_cell_length_b 6.32428
_cell_length_c 9.59260
_cell_angle_alpha 98.61089
_cell_angle_beta 90.00000
_cell_angle_gamma 108.26105
_cell_volume 225.47897
_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 0.37658 0.75316 0.61616 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.62342 0.24684 0.38384 1.00000
Pa1 Pa 0.31674 0.63348 0.21775 1.00000
Pa2 Pa 0.68326 0.36652 0.78225 1.00000
Ir1 Ir 0.68977 0.37954 0.07972 1.00000
Ir2 Ir 0.07771 0.15542 0.62476 1.00000
Ir3 Ir 0.92229 0.84458 0.37524 1.00000
Ir4 Ir 0.31023 0.62046 0.92028 1.00000
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