CeNi2GeH8
Alexandria ALEXAlex-ID: agm007452925 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_303_spg148
CeNiGeH2 Ce(NiH3)2 NiGe GeH8
2025-05-27 08:35:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007452925).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007452925
data_agm007452925
_cell_length_a 4.33792
_cell_length_b 4.55607
_cell_length_c 6.28044
_cell_angle_alpha 70.92780
_cell_angle_beta 81.10088
_cell_angle_gamma 60.33468
_cell_volume 101.93235
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.15002 0.30735 0.18653 1.00000
Ni2 Ni 0.84998 0.69265 0.81347 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.98709 0.41789 0.67245 1.00000
H2 H 0.74726 0.55219 0.08398 1.00000
H3 H 0.01291 0.58211 0.32755 1.00000
H4 H 0.25274 0.44781 0.91602 1.00000
H5 H 0.54318 0.07870 0.28114 1.00000
H6 H 0.45682 0.92130 0.71886 1.00000
H7 H 0.03377 0.07675 0.39550 1.00000
H8 H 0.96623 0.92325 0.60450 1.00000
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