Ac7Y2Ni3
Alexandria ALEXAlex-ID: agm101258917 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_1083_spg1
Ac2Ni YNi Ac
2025-05-17 08:23:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101258917).
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 agm101258917
data_agm101258917
_cell_length_a 6.84911
_cell_length_b 6.88939
_cell_length_c 11.15385
_cell_angle_alpha 73.97565
_cell_angle_beta 67.69145
_cell_angle_gamma 58.47806
_cell_volume 413.05213
_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 0.39917 0.71630 0.56290 1.00000
Ac2 Ac 0.32049 0.92412 0.20539 1.00000
Ac3 Ac 0.62048 0.21814 0.32599 1.00000
Ac4 Ac 0.00521 0.55355 0.26807 1.00000
Ac5 Ac 0.69711 0.03086 0.67856 1.00000
Ac6 Ac 0.02151 0.38715 0.63000 1.00000
Ac7 Ac 0.18945 0.92155 0.90893 1.00000
Y1 Y 0.90291 0.56204 0.96244 1.00000
Y2 Y 0.54422 0.31453 0.95909 1.00000
Ni1 Ni 0.76852 0.93425 0.10207 1.00000
Ni2 Ni 0.02577 0.77643 0.44712 1.00000
Ni3 Ni 0.00516 0.16107 0.44944 1.00000
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