HfTi2Rh
Alexandria ALEXAlex-ID: agm003633481 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_51_spg63
Ti2Rh Hf2Ti3Rh HfRh
2022-04-15 05:33:27.397528
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003633481).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003633481
data_agm003633481
_cell_length_a 3.04222
_cell_length_b 4.61832
_cell_length_c 10.15788
_cell_angle_alpha 90.00000
_cell_angle_beta 98.61227
_cell_angle_gamma 90.00000
_cell_volume 141.10867
_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
Hf1 Hf 0.38652 0.25000 0.77303 1.00000
Hf2 Hf 0.61348 0.75000 0.22697 1.00000
Ti1 Ti 0.74819 0.25000 0.49639 1.00000
Ti2 Ti 0.25181 0.75000 0.50361 1.00000
Ti3 Ti 0.02405 0.25000 0.04810 1.00000
Ti4 Ti 0.97595 0.75000 0.95190 1.00000
Rh1 Rh 0.14750 0.25000 0.29499 1.00000
Rh2 Rh 0.85250 0.75000 0.70501 1.00000
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