Tb2Ho3Tc2
Alexandria ALEXAlex-ID: agm005556293 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_194_spg12
TbHo2Tc Tb3Tc HoTc2
2023-06-09 23:36:40.993721
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005556293).
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 agm005556293
data_agm005556293
_cell_length_a 3.84363
_cell_length_b 6.34641
_cell_length_c 8.45819
_cell_angle_alpha 104.01465
_cell_angle_beta 103.13185
_cell_angle_gamma 107.62870
_cell_volume 180.42287
_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 0.65271 0.49068 0.81472 1.00000
Tb2 Tb 0.34729 0.50932 0.18528 1.00000
Ho1 Ho 0.50000 0.00000 0.00000 1.00000
Ho2 Ho 0.19357 0.81898 0.56822 1.00000
Ho3 Ho 0.80643 0.18102 0.43178 1.00000
Tc1 Tc 0.03774 0.86104 0.21441 1.00000
Tc2 Tc 0.96226 0.13896 0.78559 1.00000
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