Cr2TcRh8
Alexandria ALEXAlex-ID: agm005992167 · 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
AB2C8_259_spg8
CrRh3 TcRh2
2023-09-26 12:50:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992167).
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 agm005992167
data_agm005992167
_cell_length_a 3.98657
_cell_length_b 6.54232
_cell_length_c 7.12274
_cell_angle_alpha 117.33908
_cell_angle_beta 106.25116
_cell_angle_gamma 90.00000
_cell_volume 156.61831
_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
Cr1 Cr 0.20023 0.70023 0.40046 1.00000
Cr2 Cr 0.79977 0.29977 0.59954 1.00000
Tc1 Tc 0.50000 0.00000 0.00000 1.00000
Rh1 Rh 0.65256 0.86353 0.30511 1.00000
Rh2 Rh 0.34744 0.55842 0.69489 1.00000
Rh3 Rh 0.15440 0.15440 0.30879 1.00000
Rh4 Rh 1.00000 0.29624 1.00000 1.00000
Rh5 Rh 0.84560 0.84560 0.69121 1.00000
Rh6 Rh 0.65256 0.44158 0.30511 1.00000
Rh7 Rh 0.34744 0.13647 0.69489 1.00000
Rh8 Rh 0.00000 0.70376 0.00000 1.00000
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