PmMg11
Alexandria ALEXAlex-ID: agm005539740 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB11_3_spg141
PmMg12 PmMg3
2023-05-29 15:21:50.233325
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005539740).
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 agm005539740
data_agm005539740
_cell_length_a 7.89912
_cell_length_b 9.45743
_cell_length_c 9.45743
_cell_angle_alpha 79.95614
_cell_angle_beta 65.31591
_cell_angle_gamma 65.31592
_cell_volume 583.30231
_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
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 0.25000 0.50000 0.50000 1.00000
Mg1 Mg 0.42823 0.82640 0.41689 1.00000
Mg2 Mg 0.67152 0.17360 0.58311 1.00000
Mg3 Mg 0.00000 0.00000 0.00000 1.00000
Mg4 Mg 0.75000 0.50000 0.50000 1.00000
Mg5 Mg 0.37500 0.75000 0.75000 1.00000
Mg6 Mg 0.87500 0.75000 0.25000 1.00000
Mg7 Mg 0.87500 0.25000 0.75000 1.00000
Mg8 Mg 0.87500 0.25000 0.25000 1.00000
Mg9 Mg 0.42823 0.41689 0.82640 1.00000
Mg10 Mg 0.00463 0.67360 0.91689 1.00000
Mg11 Mg 0.59512 0.32640 0.08311 1.00000
Mg12 Mg 0.67152 0.58311 0.17360 1.00000
Mg13 Mg 0.74537 0.58311 0.82640 1.00000
Mg14 Mg 0.15488 0.41689 0.17360 1.00000
Mg15 Mg 0.07848 0.32640 0.91689 1.00000
Mg16 Mg 0.32177 0.67360 0.08311 1.00000
Mg17 Mg 0.32177 0.08311 0.67360 1.00000
Mg18 Mg 0.74537 0.82640 0.58311 1.00000
Mg19 Mg 0.15488 0.17360 0.41689 1.00000
Mg20 Mg 0.07848 0.91689 0.32640 1.00000
Mg21 Mg 0.00463 0.91689 0.67360 1.00000
Mg22 Mg 0.59512 0.08311 0.32640 1.00000
