CoH4PdRh2
Alexandria ALEXAlex-ID: agm007485244 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_415_spg82
H8Rh3 HPd Co Rh
2024-03-05 10:49:25.519846
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007485244).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007485244
data_agm007485244
_cell_length_a 4.11232
_cell_length_b 4.11742
_cell_length_c 5.01141
_cell_angle_alpha 65.84474
_cell_angle_beta 65.85975
_cell_angle_gamma 90.02089
_cell_volume 69.20495
_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
Co1 Co 0.73644 0.73600 0.52865 1.00000
H1 H 0.61868 0.60460 0.29214 1.00000
H2 H 0.36790 0.85283 0.76442 1.00000
H3 H 0.86696 0.38153 0.76474 1.00000
H4 H 0.08901 0.10378 0.29128 1.00000
Pd1 Pd 0.48600 0.98583 0.02849 1.00000
Rh1 Rh 0.98595 0.48642 0.02808 1.00000
Rh2 Rh 0.23611 0.23606 0.52812 1.00000
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