Ac4Co2Pt
Alexandria ALEXAlex-ID: agm005997200 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2757_spg10
Ac7Pt3 Ac3Pt2 AcCo
2023-09-11 22:12:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997200).
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 agm005997200
data_agm005997200
_cell_length_a 4.38561
_cell_length_b 6.86387
_cell_length_c 7.65564
_cell_angle_alpha 102.10357
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 225.32944
_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
Ac1 Ac 0.50000 0.00517 0.74621 1.00000
Ac2 Ac 0.00000 0.51867 0.74484 1.00000
Ac3 Ac 0.50000 0.85202 0.25388 1.00000
Ac4 Ac 0.00000 0.33852 0.25526 1.00000
Co1 Co 0.50000 0.59255 0.50239 1.00000
Co2 Co 0.50000 0.26464 0.49771 1.00000
Pt1 Pt 0.00000 0.92860 0.00005 1.00000
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