Th2Mn(Ga2Ge)2
Alexandria ALEXAlex-ID: agm024696782 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_3_spg139
Th3Mn2Ge7 ThGa3 Th(MnGe)2 MnGa4
2024-11-02 02:06:05.981896
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024696782).
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 agm024696782
data_agm024696782
_cell_length_a 6.32356
_cell_length_b 6.32356
_cell_length_c 6.32356
_cell_angle_alpha 120.16657
_cell_angle_beta 120.16657
_cell_angle_gamma 89.71173
_cell_volume 178.34877
_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
Th1 Th 0.25000 0.75000 0.50000 1.00000
Th2 Th 0.75000 0.25000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.71732 0.71732 0.43464 1.00000
Ga2 Ga 0.71732 0.28268 0.00000 1.00000
Ga3 Ga 0.28268 0.28268 0.56536 1.00000
Ga4 Ga 0.28268 0.71732 0.00000 1.00000
Ge1 Ge 0.28043 0.28043 0.00000 1.00000
Ge2 Ge 0.71957 0.71957 0.00000 1.00000
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