EuMgH4
Alexandria ALEXAlex-ID: agm002280280 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_25_spg36
Eu2MgH6 Eu(MgH3)2
2019-01-04 17:57:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002280280).
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 agm002280280
data_agm002280280
_cell_length_a 3.84354
_cell_length_b 5.53446
_cell_length_c 6.73636
_cell_angle_alpha 90.00000
_cell_angle_beta 106.56764
_cell_angle_gamma 90.00000
_cell_volume 137.34607
_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
Eu1 Eu 0.15098 0.23512 0.30235 1.00000
Eu2 Eu 0.84902 0.73512 0.69765 1.00000
H1 H 0.33030 0.00695 0.66021 1.00000
H2 H 0.66970 0.50695 0.33979 1.00000
H3 H 0.29638 0.49043 0.59230 1.00000
H4 H 0.70362 0.99043 0.40770 1.00000
H5 H 0.06173 0.83924 0.12457 1.00000
H6 H 0.93827 0.33924 0.87543 1.00000
H7 H 0.54717 0.14207 0.09459 1.00000
H8 H 0.45283 0.64207 0.90541 1.00000
Mg1 Mg 0.41757 0.28519 0.83319 1.00000
Mg2 Mg 0.58243 0.78519 0.16681 1.00000
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