Ho(BRh2)2
Alexandria ALEXAlex-ID: agm006041968 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2605_spg70
BRh HoBRh3
2023-09-01 14:22:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006041968).
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 agm006041968
data_agm006041968
_cell_length_a 5.54213
_cell_length_b 5.54215
_cell_length_c 8.00218
_cell_angle_alpha 98.24471
_cell_angle_beta 98.21414
_cell_angle_gamma 125.73851
_cell_volume 189.42282
_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
B1 B 0.74227 0.04332 0.49995 1.00000
B2 B 0.54253 0.24315 0.50006 1.00000
B3 B 0.29340 0.49236 0.00002 1.00000
B4 B 0.49317 0.29256 0.99997 1.00000
Rh1 Rh 0.69840 0.69880 0.61050 1.00000
Rh2 Rh 0.27132 0.27086 0.75704 1.00000
Rh3 Rh 0.08690 0.08717 0.38948 1.00000
Rh4 Rh 0.52099 0.02139 0.25705 1.00000
Rh5 Rh 0.76445 0.26485 0.74296 1.00000
Rh6 Rh 0.51470 0.51437 0.24295 1.00000
Rh7 Rh 0.94881 0.44855 0.11052 1.00000
Rh8 Rh 0.33735 0.83692 0.88950 1.00000
Ho1 Ho 0.14277 0.64286 0.50001 1.00000
Ho2 Ho 0.89294 0.89284 1.00000 1.00000
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