Pm2Y6Mg
Alexandria ALEXAlex-ID: agm005679295 · 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
AB2C6_2022_spg12
Y2Mg PmY2
2023-07-08 17:43:58.765539
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679295).
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 agm005679295
data_agm005679295
_cell_length_a 7.17255
_cell_length_b 8.50622
_cell_length_c 14.59329
_cell_angle_alpha 138.37861
_cell_angle_beta 89.99998
_cell_angle_gamma 90.00002
_cell_volume 591.37883
_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 0.49983 0.20156 0.23419 1.00000
Pm2 Pm 0.99983 0.29844 0.26581 1.00000
Pm3 Pm 0.00017 0.70156 0.73419 1.00000
Pm4 Pm 0.50017 0.79844 0.76581 1.00000
Y1 Y 0.99998 0.24729 0.82193 1.00000
Y2 Y 0.25890 0.24969 0.45819 1.00000
Y3 Y 0.24088 0.24992 0.04160 1.00000
Y4 Y 0.74088 0.25008 0.45840 1.00000
Y5 Y 0.75890 0.25031 0.04181 1.00000
Y6 Y 0.49998 0.25271 0.67807 1.00000
Y7 Y 0.00002 0.75271 0.17807 1.00000
Y8 Y 0.74110 0.75031 0.54181 1.00000
Y9 Y 0.75912 0.75008 0.95840 1.00000
Y10 Y 0.25912 0.74992 0.54160 1.00000
Y11 Y 0.24110 0.74969 0.95819 1.00000
Y12 Y 0.50002 0.74729 0.32193 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
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