Tb3Ho(TmRh3)2
Alexandria ALEXAlex-ID: agm040294513 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_208_spg12
Tb2TmRh3 Tb2HoRh3 HoTm2Rh3
2024-12-23 11:30:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040294513).
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 agm040294513
data_agm040294513
_cell_length_a 8.35820
_cell_length_b 8.35820
_cell_length_c 8.35820
_cell_angle_alpha 146.42192
_cell_angle_beta 131.67054
_cell_angle_gamma 60.13360
_cell_volume 239.00884
_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 0.16706 0.16706 0.00000 1.00000
Tb2 Tb 0.83294 0.83294 0.00000 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Tm1 Tm 0.33335 0.83335 0.50000 1.00000
Tm2 Tm 0.66665 0.16665 0.50000 1.00000
Rh1 Rh 0.41795 0.66717 0.75078 1.00000
Rh2 Rh 0.25159 0.00000 0.25159 1.00000
Rh3 Rh 0.58205 0.33283 0.24922 1.00000
Rh4 Rh 0.08360 0.33283 0.75078 1.00000
Rh5 Rh 0.74841 0.00000 0.74841 1.00000
Rh6 Rh 0.91640 0.66717 0.24922 1.00000
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