Tb4Ga2Te
Alexandria ALEXAlex-ID: agm003448024 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_39_spg122
Tb5(GaTe)2 Tb3Ga2
2022-02-17 10:59:17.474093
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003448024).
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 agm003448024
data_agm003448024
_cell_length_a 7.84413
_cell_length_b 7.84495
_cell_length_c 7.84426
_cell_angle_alpha 109.22367
_cell_angle_beta 109.23765
_cell_angle_gamma 109.95149
_cell_volume 371.57965
_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
Tb1 Tb 0.00715 0.25883 0.39604 1.00000
Tb2 Tb 0.38729 0.49124 0.24827 1.00000
Tb3 Tb 0.86269 0.61121 0.60393 1.00000
Tb4 Tb 0.74119 0.13712 0.74853 1.00000
Tb5 Tb 0.38909 0.99310 0.25175 1.00000
Tb6 Tb 0.24265 0.13869 0.75144 1.00000
Tb7 Tb 0.50862 0.75702 0.89606 1.00000
Tb8 Tb 0.86132 0.61281 0.10399 1.00000
Ga1 Ga 0.49306 0.37503 0.61813 1.00000
Ga2 Ga 0.75695 0.87505 0.38192 1.00000
Ga3 Ga 0.62500 0.24303 0.11791 1.00000
Ga4 Ga 0.12485 0.50694 0.88194 1.00000
Te1 Te 0.25013 0.75001 0.50000 1.00000
Te2 Te 0.00001 0.99993 0.00010 1.00000
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