ErMg(PaIr2)2
Alexandria ALEXAlex-ID: agm004806057 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_78_spg166
Mg2PaIr3 ErPa3Ir4 PaIr3 ErMgIr
2022-07-17 03:06:51.956316
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004806057).
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 agm004806057
data_agm004806057
_cell_length_a 4.69552
_cell_length_b 4.69552
_cell_length_c 8.76410
_cell_angle_alpha 74.46162
_cell_angle_beta 74.46162
_cell_angle_gamma 60.00000
_cell_volume 159.13499
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Pa1 Pa 0.75541 0.75541 0.73377 1.00000
Pa2 Pa 0.24459 0.24459 0.26623 1.00000
Ir1 Ir 0.38975 0.38975 0.83075 1.00000
Ir2 Ir 0.87840 0.87840 0.36481 1.00000
Ir3 Ir 0.12160 0.12160 0.63519 1.00000
Ir4 Ir 0.61025 0.61025 0.16925 1.00000
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