Pm2ZnIr2
Alexandria ALEXAlex-ID: agm003391978 · 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
AB2C2_315_spg71
Pm2ZnIr2
2022-02-12 03:41:58.019141
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003391978).
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 agm003391978
data_agm003391978
_cell_length_a 4.23109
_cell_length_b 5.90924
_cell_length_c 5.61328
_cell_angle_alpha 121.76004
_cell_angle_beta 112.14070
_cell_angle_gamma 90.00000
_cell_volume 106.96740
_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
Pm1 Pm 0.79793 0.29793 0.59587 1.00000
Pm2 Pm 0.20207 0.70207 0.40413 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.73245 0.00000 1.00000
Ir2 Ir 0.50000 0.26755 0.00000 1.00000
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