NdCo2H8Pd
Alexandria ALEXAlex-ID: agm007407263 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_826_spg2
H4Pd Nd(CoH3)2 HPd
2024-03-26 07:33:54.173104
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007407263).
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 agm007407263
data_agm007407263
_cell_length_a 4.88322
_cell_length_b 4.58136
_cell_length_c 5.11833
_cell_angle_alpha 90.52594
_cell_angle_beta 90.02738
_cell_angle_gamma 112.79917
_cell_volume 105.55419
_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
Nd1 Nd 0.14724 0.33097 0.50192 1.00000
Co1 Co 0.48422 0.97159 0.75336 1.00000
Co2 Co 0.48282 0.96911 0.24681 1.00000
H1 H 0.57162 0.22112 0.50149 1.00000
H2 H 0.81871 0.15193 0.81910 1.00000
H3 H 0.57727 0.80326 0.49893 1.00000
H4 H 0.48418 0.72580 0.99702 1.00000
H5 H 0.41447 0.17509 0.00264 1.00000
H6 H 0.12589 0.80634 0.71357 1.00000
H7 H 0.81681 0.14897 0.18420 1.00000
H8 H 0.12406 0.79983 0.28190 1.00000
Pd1 Pd 0.95270 0.89597 0.99904 1.00000
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