ErNi2GeH8
Alexandria ALEXAlex-ID: agm007454151 · 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_38_spg12
Er(NiH3)2 NiGe ErH3 GeH8
2025-05-27 08:34:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007454151).
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 agm007454151
data_agm007454151
_cell_length_a 4.17529
_cell_length_b 4.16966
_cell_length_c 6.21390
_cell_angle_alpha 80.52629
_cell_angle_beta 76.83287
_cell_angle_gamma 66.65164
_cell_volume 96.37649
_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
Er1 Er 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.52523 0.14511 0.79858 1.00000
Ni2 Ni 0.47477 0.85489 0.20142 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.34278 0.84953 0.45696 1.00000
H2 H 0.35549 0.26799 0.19523 1.00000
H3 H 0.65722 0.15047 0.54304 1.00000
H4 H 0.64451 0.73201 0.80477 1.00000
H5 H 0.66054 0.45609 0.81739 1.00000
H6 H 0.33946 0.54391 0.18261 1.00000
H7 H 0.19281 0.50778 0.82127 1.00000
H8 H 0.80719 0.49222 0.17873 1.00000
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