Pa3Al7Co4
Alexandria ALEXAlex-ID: agm005705657 · 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
A3B4C7_31_spg12
PaAl4Co PaAlCo AlCo
2023-06-29 15:56:34.249024
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705657).
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 agm005705657
data_agm005705657
_cell_length_a 4.10143
_cell_length_b 7.59986
_cell_length_c 8.41021
_cell_angle_alpha 68.73506
_cell_angle_beta 75.88694
_cell_angle_gamma 74.34551
_cell_volume 232.10462
_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
Pa1 Pa 0.30554 0.18571 0.20320 1.00000
Pa2 Pa 0.69446 0.81429 0.79680 1.00000
Pa3 Pa 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.32038 0.83856 0.52067 1.00000
Al2 Al 0.48883 0.23113 0.79121 1.00000
Al3 Al 0.84300 0.38903 0.92496 1.00000
Al4 Al 0.67962 0.16144 0.47933 1.00000
Al5 Al 0.15700 0.61097 0.07504 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.51117 0.76887 0.20879 1.00000
Co1 Co 0.67109 0.43696 0.22087 1.00000
Co2 Co 0.32891 0.56304 0.77913 1.00000
Co3 Co 0.89383 0.86406 0.34828 1.00000
Co4 Co 0.10617 0.13594 0.65172 1.00000
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