Ba3AcPt2
Alexandria ALEXAlex-ID: agm005691735 · 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
AB2C3_986_spg12
Ba3Pt AcPt
2023-08-07 05:40:36.754320
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691735).
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 agm005691735
data_agm005691735
_cell_length_a 4.57649
_cell_length_b 10.16875
_cell_length_c 12.06941
_cell_angle_alpha 83.92644
_cell_angle_beta 79.07114
_cell_angle_gamma 76.99554
_cell_volume 536.17323
_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 0.06247 0.07073 0.80434 1.00000
Ba2 Ba 0.93753 0.92927 0.19566 1.00000
Ba3 Ba 0.68960 0.67371 0.94709 1.00000
Ba4 Ba 0.31040 0.32629 0.05291 1.00000
Ba5 Ba 0.81419 0.81626 0.55537 1.00000
Ba6 Ba 0.18581 0.18374 0.44463 1.00000
Ac1 Ac 0.44575 0.40968 0.69882 1.00000
Ac2 Ac 0.55425 0.59032 0.30118 1.00000
Pt1 Pt 0.88023 0.37867 0.86086 1.00000
Pt2 Pt 0.11977 0.62133 0.13914 1.00000
Pt3 Pt 0.62149 0.13105 0.62598 1.00000
Pt4 Pt 0.37851 0.86895 0.37402 1.00000
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