Sr(ErH4)2
Alexandria ALEXAlex-ID: agm006397441 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_126_spg42
ErH3 SrH2
2024-08-14 09:46:33.739910
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006397441).
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 agm006397441
data_agm006397441
_cell_length_a 6.41353
_cell_length_b 6.41353
_cell_length_c 6.41353
_cell_angle_alpha 146.99610
_cell_angle_beta 130.29143
_cell_angle_gamma 60.96727
_cell_volume 108.56960
_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 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.81983 0.31983 0.50000 1.00000
Er2 Er 0.18017 0.68017 0.50000 1.00000
H1 H 0.61644 0.83519 0.78125 1.00000
H2 H 0.94607 0.16481 0.78125 1.00000
H3 H 0.32663 0.32663 0.00000 1.00000
H4 H 0.19826 0.50000 0.69826 1.00000
H5 H 0.67337 0.67337 0.00000 1.00000
H6 H 0.05393 0.83519 0.21875 1.00000
H7 H 0.38356 0.16481 0.21875 1.00000
H8 H 0.80174 0.50000 0.30174 1.00000
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