ErPu6Mg2H
Alexandria ALEXAlex-ID: agm007703605 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1254_spg8
ErMg7 ErMg3 ErH2 Pu
2024-03-06 09:05:46.026923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007703605).
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 agm007703605
data_agm007703605
_cell_length_a 5.33026
_cell_length_b 6.18661
_cell_length_c 7.32417
_cell_angle_alpha 66.89804
_cell_angle_beta 74.49704
_cell_angle_gamma 89.22410
_cell_volume 212.93297
_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 0.66079 0.34595 0.20137 1.00000
Pu1 Pu 0.49338 0.74271 0.38047 1.00000
Pu2 Pu 0.47797 0.93805 0.67813 1.00000
Pu3 Pu 0.21880 0.73164 0.04749 1.00000
Pu4 Pu 0.11276 0.96221 0.35252 1.00000
Pu5 Pu 0.86144 0.76420 0.74852 1.00000
Pu6 Pu 0.83761 0.94063 0.00968 1.00000
Mg1 Mg 0.96575 0.36050 0.54953 1.00000
Mg2 Mg 0.34014 0.33861 0.86047 1.00000
H1 H 0.55280 0.34222 0.52193 1.00000
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