Pu(MgH4)2
Alexandria ALEXAlex-ID: agm006409353 · 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_1877_spg12
PuMgH5 MgH6 MgH2
2023-12-26 21:30:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006409353).
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 agm006409353
data_agm006409353
_cell_length_a 3.29146
_cell_length_b 5.07027
_cell_length_c 5.99105
_cell_angle_alpha 115.04473
_cell_angle_beta 105.94402
_cell_angle_gamma 90.00000
_cell_volume 86.31750
_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
H1 H 0.66221 0.90022 0.32441 1.00000
H2 H 0.33780 0.57567 0.67560 1.00000
H3 H 0.13473 0.13473 0.26946 1.00000
H4 H 0.00002 0.28535 0.00005 1.00000
H5 H 0.86527 0.86527 0.73054 1.00000
H6 H 0.66220 0.42433 0.32440 1.00000
H7 H 0.33779 0.09978 0.67559 1.00000
H8 H 0.99998 0.71465 0.99995 1.00000
Mg1 Mg 0.17592 0.67614 0.35185 1.00000
Mg2 Mg 0.82408 0.32386 0.64815 1.00000
Pu1 Pu 0.50000 0.00000 0.00000 1.00000
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