Tm6CuRu2Rh3
Alexandria ALEXAlex-ID: agm030343383 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_168_spg12
Tm5RuRh4 Tm6Cu2Ru3Rh Tm3Cu2Ru
2025-01-04 04:13:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030343383).
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 agm030343383
data_agm030343383
_cell_length_a 7.56136
_cell_length_b 3.38575
_cell_length_c 9.53997
_cell_angle_alpha 90.00000
_cell_angle_beta 108.61217
_cell_angle_gamma 90.00000
_cell_volume 231.45893
_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 0.16334 0.00000 0.41382 1.00000
Tm2 Tm 0.83770 0.00000 0.08175 1.00000
Tm3 Tm 0.83666 0.00000 0.58618 1.00000
Tm4 Tm 0.50166 0.00000 0.75390 1.00000
Tm5 Tm 0.49834 0.00000 0.24610 1.00000
Tm6 Tm 0.16230 0.00000 0.91825 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.17138 0.50000 0.16956 1.00000
Ru2 Ru 0.82862 0.50000 0.83044 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.16527 0.50000 0.66567 1.00000
Rh3 Rh 0.83473 0.50000 0.33433 1.00000
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