Mg2SiGeN4
Alexandria ALEXAlex-ID: agm035443322 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_1531_spg4
MgSiN2 MgGeN2
2025-01-26 09:44:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035443322).
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 agm035443322
data_agm035443322
_cell_length_a 5.43430
_cell_length_b 5.11453
_cell_length_c 6.58929
_cell_angle_alpha 90.00000
_cell_angle_beta 90.13309
_cell_angle_gamma 90.00000
_cell_volume 183.14162
_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 0.91991 0.00383 0.62789 1.00000
Mg2 Mg 0.08009 0.50383 0.37211 1.00000
Mg3 Mg 0.59045 0.50239 0.11802 1.00000
Mg4 Mg 0.40955 0.00239 0.88198 1.00000
Si1 Si 0.92866 0.99581 0.12183 1.00000
Si2 Si 0.07134 0.49581 0.87817 1.00000
Ge1 Ge 0.57217 0.49216 0.62965 1.00000
Ge2 Ge 0.42783 0.99216 0.37035 1.00000
N1 N 0.55623 0.12765 0.60938 1.00000
N2 N 0.44377 0.62765 0.39062 1.00000
N3 N 0.94872 0.65265 0.09232 1.00000
N4 N 0.05128 0.15265 0.90768 1.00000
N5 N 0.61668 0.09051 0.14315 1.00000
N6 N 0.38332 0.59051 0.85685 1.00000
N7 N 0.90752 0.58691 0.65554 1.00000
N8 N 0.09248 0.08691 0.34446 1.00000
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