Cr2CoB2Pt3Au2
Alexandria ALEXAlex-ID: agm010777992 · 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
AB2C2D2E3_4_spg10
CrPt3 CoB Au CrB
2024-05-28 10:24:32.166824
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010777992).
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 agm010777992
data_agm010777992
_cell_length_a 3.21415
_cell_length_b 9.35997
_cell_length_c 9.41221
_cell_angle_alpha 86.69810
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 282.69025
_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
Cr1 Cr 0.00000 0.80478 0.32884 1.00000
Cr2 Cr 0.00000 0.19522 0.67116 1.00000
Cr3 Cr 0.00000 0.31627 0.18209 1.00000
Cr4 Cr 0.00000 0.68373 0.81791 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
B1 B 0.00000 0.35963 0.85447 1.00000
B2 B 0.00000 0.64037 0.14553 1.00000
B3 B 0.00000 0.84528 0.62029 1.00000
B4 B 0.00000 0.15472 0.37971 1.00000
Pt1 Pt 0.50000 0.44196 0.71636 1.00000
Pt2 Pt 0.50000 0.55804 0.28364 1.00000
Pt3 Pt 0.50000 0.21863 0.92646 1.00000
Pt4 Pt 0.50000 0.78137 0.07354 1.00000
Pt5 Pt 0.50000 0.29038 0.43141 1.00000
Pt6 Pt 0.50000 0.70962 0.56859 1.00000
Au1 Au 0.50000 0.00000 0.50000 1.00000
Au2 Au 0.50000 0.50000 0.00000 1.00000
Au3 Au 0.50000 0.93883 0.79521 1.00000
Au4 Au 0.50000 0.06117 0.20479 1.00000
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