Sr5(NdH)2
Alexandria ALEXAlex-ID: agm007123700 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_213_spg12
NdH2 Sr Nd
2024-07-09 22:09:46.772695
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007123700).
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 agm007123700
data_agm007123700
_cell_length_a 6.40324
_cell_length_b 6.40324
_cell_length_c 10.05774
_cell_angle_alpha 109.75116
_cell_angle_beta 109.75116
_cell_angle_gamma 59.08786
_cell_volume 326.02225
_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
Sr1 Sr 0.42161 0.42161 0.76384 1.00000
Sr2 Sr 0.57839 0.57839 0.23616 1.00000
Sr3 Sr 0.14368 0.14368 0.92476 1.00000
Sr4 Sr 0.85632 0.85632 0.07524 1.00000
Sr5 Sr 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.29564 0.29564 0.34776 1.00000
Nd2 Nd 0.70436 0.70436 0.65224 1.00000
H1 H 0.34018 0.34018 0.14361 1.00000
H2 H 0.65982 0.65982 0.85639 1.00000
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