Tm6Ga2Hg
Alexandria ALEXAlex-ID: agm005702679 · 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
AB2C6_712_spg71
Tm2Hg Tm3Ga2 Tm
2023-07-07 05:03:45.627376
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702679).
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 agm005702679
data_agm005702679
_cell_length_a 8.47838
_cell_length_b 8.47838
_cell_length_c 8.47838
_cell_angle_alpha 104.72376
_cell_angle_beta 112.11082
_cell_angle_gamma 111.68120
_cell_volume 466.75891
_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
Tm1 Tm 0.54188 0.72423 0.81765 1.00000
Tm2 Tm 0.45812 0.27577 0.18235 1.00000
Tm3 Tm 0.09343 0.27577 0.81765 1.00000
Tm4 Tm 0.90657 0.72423 0.18235 1.00000
Tm5 Tm 0.80087 0.75439 0.55526 1.00000
Tm6 Tm 0.19913 0.24561 0.44474 1.00000
Tm7 Tm 0.19913 0.75439 0.95352 1.00000
Tm8 Tm 0.80087 0.24561 0.04648 1.00000
Tm9 Tm 0.70415 0.38135 0.67720 1.00000
Tm10 Tm 0.29585 0.61865 0.32281 1.00000
Tm11 Tm 0.29585 0.97304 0.67720 1.00000
Tm12 Tm 0.70415 0.02696 0.32280 1.00000
Ga1 Ga 0.50000 0.37779 0.87779 1.00000
Ga2 Ga 0.50000 0.62221 0.12221 1.00000
Ga3 Ga 0.64789 1.00000 0.64789 1.00000
Ga4 Ga 0.35211 0.00000 0.35211 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
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