Mg3Ga2Pt
Alexandria ALEXAlex-ID: agm005673299 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2065_spg14
MgGa Mg2GaPt
2023-08-22 15:18:03.631017
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673299).
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 agm005673299
data_agm005673299
_cell_length_a 7.42183
_cell_length_b 8.07914
_cell_length_c 10.60578
_cell_angle_alpha 90.00000
_cell_angle_beta 135.20203
_cell_angle_gamma 90.00000
_cell_volume 448.09188
_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
Mg1 Mg 0.31746 0.87308 0.95991 1.00000
Mg2 Mg 0.18254 0.37308 0.54009 1.00000
Mg3 Mg 0.68254 0.12692 0.04009 1.00000
Mg4 Mg 0.81746 0.62692 0.45991 1.00000
Mg5 Mg 0.26798 0.55898 0.10996 1.00000
Mg6 Mg 0.23202 0.05898 0.39004 1.00000
Mg7 Mg 0.73202 0.44102 0.89004 1.00000
Mg8 Mg 0.76798 0.94102 0.60996 1.00000
Mg9 Mg 0.89284 0.71746 0.17132 1.00000
Mg10 Mg 0.60716 0.21746 0.32868 1.00000
Mg11 Mg 0.10716 0.28254 0.82868 1.00000
Mg12 Mg 0.39284 0.78254 0.67132 1.00000
Ga1 Ga 0.81272 0.92901 0.33450 1.00000
Ga2 Ga 0.68728 0.42901 0.16550 1.00000
Ga3 Ga 0.18728 0.07099 0.66550 1.00000
Ga4 Ga 0.31272 0.57099 0.83450 1.00000
Ga5 Ga 0.40763 0.65457 0.43433 1.00000
Ga6 Ga 0.09237 0.15457 0.06567 1.00000
Ga7 Ga 0.59237 0.34543 0.56567 1.00000
Ga8 Ga 0.90763 0.84543 0.93433 1.00000
Pt1 Pt 0.38434 0.88624 0.25022 1.00000
Pt2 Pt 0.11566 0.38624 0.24978 1.00000
Pt3 Pt 0.61566 0.11376 0.74978 1.00000
Pt4 Pt 0.88434 0.61376 0.75022 1.00000
