Tm3B2Rh7
Alexandria ALEXAlex-ID: agm024248308 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_54_spg12
TmBRh3 TmRh
2025-05-15 10:51:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024248308).
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 agm024248308
data_agm024248308
_cell_length_a 8.08777
_cell_length_b 8.08777
_cell_length_c 8.08777
_cell_angle_alpha 38.77666
_cell_angle_beta 38.77666
_cell_angle_gamma 38.77666
_cell_volume 186.53613
_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
Tm1 Tm 0.35649 0.35649 0.35649 1.00000
Tm2 Tm 0.64351 0.64351 0.64351 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
B1 B 0.16624 0.16624 0.16624 1.00000
B2 B 0.83376 0.83376 0.83376 1.00000
Rh1 Rh 0.93263 0.93263 0.43076 1.00000
Rh2 Rh 0.43076 0.93263 0.93263 1.00000
Rh3 Rh 0.93263 0.43076 0.93263 1.00000
Rh4 Rh 0.06737 0.56924 0.06737 1.00000
Rh5 Rh 0.56924 0.06737 0.06737 1.00000
Rh6 Rh 0.06737 0.06737 0.56924 1.00000
Rh7 Rh 0.00000 0.00000 0.00000 1.00000
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