Tb2Th4Mg
Alexandria ALEXAlex-ID: agm017402397 · 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
AB2C4_2510_spg71
Tb2Th3 Th TbMg
2025-04-18 16:32:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017402397).
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 agm017402397
data_agm017402397
_cell_length_a 16.97627
_cell_length_b 16.97627
_cell_length_c 16.97627
_cell_angle_alpha 167.87171
_cell_angle_beta 167.87171
_cell_angle_gamma 17.18432
_cell_volume 215.95154
_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 0.06499 0.06499 0.00000 1.00000
Tb2 Tb 0.93501 0.93501 0.00000 1.00000
Th1 Th 0.21213 0.21213 0.00000 1.00000
Th2 Th 0.78787 0.78787 0.00000 1.00000
Th3 Th 0.36204 0.36204 0.00000 1.00000
Th4 Th 0.63796 0.63796 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
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