TbPrHoEr3
Alexandria ALEXAlex-ID: agm005028186 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_601_spg11
Tb2PrEr6 PrHoEr Tb5Pr HoEr5
2022-07-26 17:37:52.588005
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028186).
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 agm005028186
data_agm005028186
_cell_length_a 5.63650
_cell_length_b 11.26465
_cell_length_c 6.91355
_cell_angle_alpha 89.99789
_cell_angle_beta 90.00175
_cell_angle_gamma 120.02370
_cell_volume 380.06265
_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 0.50069 0.25080 0.50027 1.00000
Tb2 Tb 0.49931 0.74920 0.49973 1.00000
Pr1 Pr 0.49924 0.74922 0.00023 1.00000
Pr2 Pr 0.50076 0.25078 0.99977 1.00000
Ho1 Ho 0.82632 0.08322 0.25418 1.00000
Ho2 Ho 0.17368 0.91678 0.74582 1.00000
Er1 Er 0.83998 0.58327 0.25386 1.00000
Er2 Er 0.82657 0.58324 0.74636 1.00000
Er3 Er 0.15980 0.91661 0.25342 1.00000
Er4 Er 0.17343 0.41676 0.25364 1.00000
Er5 Er 0.84020 0.08339 0.74658 1.00000
Er6 Er 0.16002 0.41673 0.74614 1.00000
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