Tb2Pm(HoSe2)3
Alexandria ALEXAlex-ID: agm034768022 · 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
AB2C3D6_166_spg12
Tb4PmSe5 PmHo4Se5 Tb4HoSe5
2025-02-28 19:32:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034768022).
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 agm034768022
data_agm034768022
_cell_length_a 9.17116
_cell_length_b 9.17116
_cell_length_c 8.10575
_cell_angle_alpha 76.85762
_cell_angle_beta 103.14238
_cell_angle_gamma 153.96537
_cell_volume 290.97918
_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 0.16403 0.83597 0.33074 1.00000
Tb2 Tb 0.83597 0.16403 0.66926 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.16316 0.83684 0.83295 1.00000
Ho3 Ho 0.83684 0.16316 0.16705 1.00000
Se1 Se 0.67117 0.32883 0.08342 1.00000
Se2 Se 0.33291 0.66709 0.41406 1.00000
Se3 Se 0.32883 0.67117 0.91658 1.00000
Se4 Se 0.00034 0.99966 0.74136 1.00000
Se5 Se 0.99966 0.00034 0.25864 1.00000
Se6 Se 0.66709 0.33291 0.58594 1.00000
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