BaAc3Co
Alexandria ALEXAlex-ID: agm005753189 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_20_spg148
Ac3Co Ba
2023-07-03 09:54:56.293923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753189).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005753189
data_agm005753189
_cell_length_a 7.26191
_cell_length_b 7.26191
_cell_length_c 11.04850
_cell_angle_alpha 70.81387
_cell_angle_beta 70.81387
_cell_angle_gamma 60.00000
_cell_volume 466.84414
_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
Ba1 Ba 0.33451 0.33451 0.99647 1.00000
Ba2 Ba 0.66548 0.66548 0.00357 1.00000
Ac1 Ac 0.10560 0.44411 0.65576 1.00000
Ac2 Ac 0.79452 0.10560 0.65576 1.00000
Ac3 Ac 0.55588 0.20545 0.34428 1.00000
Ac4 Ac 0.20545 0.89439 0.34428 1.00000
Ac5 Ac 0.89439 0.55588 0.34428 1.00000
Ac6 Ac 0.44411 0.79452 0.65576 1.00000
Co1 Co 0.16660 0.16660 0.50020 1.00000
Co2 Co 0.83340 0.83340 0.49981 1.00000
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