Mg2TiZn4
Alexandria ALEXAlex-ID: agm014889652 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_169_spg71
MgTiZn4 Mg
2025-06-24 19:08:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014889652).
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}
}
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# CIF generated by HEAS from Alexandria entry agm014889652
data_agm014889652
_cell_length_a 9.55847
_cell_length_b 9.55847
_cell_length_c 9.55847
_cell_angle_alpha 162.17082
_cell_angle_beta 153.87478
_cell_angle_gamma 31.80927
_cell_volume 117.66224
_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 0.29756 0.79756 0.50000 1.00000
Mg2 Mg 0.70244 0.20244 0.50000 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.13691 0.63691 0.50000 1.00000
Zn2 Zn 0.86309 0.36309 0.50000 1.00000
Zn3 Zn 0.56670 0.56670 0.00000 1.00000
Zn4 Zn 0.43330 0.43330 0.00000 1.00000
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