Al2Mo3
Alexandria ALEXAlex-ID: agm005259686 · 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
A2B3_516_spg14
AlMo3 Al8Mo3
2023-05-18 15:37:35.637888
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259686).
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 agm005259686
data_agm005259686
_cell_length_a 9.12056
_cell_length_b 7.53563
_cell_length_c 10.11420
_cell_angle_alpha 65.85715
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 634.33546
_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
Al1 Al 0.45819 0.57972 0.31847 1.00000
Al2 Al 0.95819 0.92028 0.68153 1.00000
Al3 Al 0.54181 0.42028 0.68153 1.00000
Al4 Al 0.04181 0.07972 0.31847 1.00000
Al5 Al 0.87763 0.97775 0.93725 1.00000
Al6 Al 0.37763 0.52225 0.06275 1.00000
Al7 Al 0.12237 0.02225 0.06275 1.00000
Al8 Al 0.62237 0.47775 0.93725 1.00000
Al9 Al 0.87024 0.42421 0.23576 1.00000
Al10 Al 0.37024 0.07579 0.76424 1.00000
Al11 Al 0.12976 0.57579 0.76424 1.00000
Al12 Al 0.62976 0.92421 0.23576 1.00000
Al13 Al 0.51764 0.17972 0.52444 1.00000
Al14 Al 0.01764 0.32028 0.47556 1.00000
Al15 Al 0.48236 0.82028 0.47556 1.00000
Al16 Al 0.98236 0.67972 0.52444 1.00000
Mo1 Mo 0.77591 0.06316 0.44245 1.00000
Mo2 Mo 0.27591 0.43684 0.55755 1.00000
Mo3 Mo 0.22409 0.93684 0.55755 1.00000
Mo4 Mo 0.72409 0.56316 0.44245 1.00000
Mo5 Mo 0.65788 0.67978 0.10517 1.00000
Mo6 Mo 0.15788 0.82022 0.89483 1.00000
Mo7 Mo 0.34212 0.32022 0.89483 1.00000
Mo8 Mo 0.84212 0.17978 0.10517 1.00000
Mo9 Mo 0.59094 0.28263 0.24516 1.00000
Mo10 Mo 0.09094 0.21737 0.75484 1.00000
Mo11 Mo 0.40906 0.71737 0.75484 1.00000
Mo12 Mo 0.90906 0.78263 0.24516 1.00000
Mo13 Mo 0.27948 0.28706 0.35185 1.00000
Mo14 Mo 0.77948 0.21294 0.64815 1.00000
Mo15 Mo 0.72052 0.71294 0.64815 1.00000
Mo16 Mo 0.22052 0.78706 0.35185 1.00000
Mo17 Mo 0.14248 0.60950 0.19071 1.00000
Mo18 Mo 0.64248 0.89050 0.80929 1.00000
Mo19 Mo 0.85752 0.39050 0.80929 1.00000
Mo20 Mo 0.35752 0.10950 0.19071 1.00000
Mo21 Mo 0.10490 0.37634 0.05729 1.00000
Mo22 Mo 0.60490 0.12366 0.94271 1.00000
Mo23 Mo 0.89510 0.62366 0.94271 1.00000
Mo24 Mo 0.39510 0.87634 0.05729 1.00000
