DyPa3Ir4
Alexandria ALEXAlex-ID: agm006042402 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_1238_spg44
DyPa3Ir4
2023-09-24 15:33:33.273718
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006042402).
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 agm006042402
data_agm006042402
_cell_length_a 3.77047
_cell_length_b 7.18745
_cell_length_c 8.88464
_cell_angle_alpha 92.19440
_cell_angle_beta 128.91008
_cell_angle_gamma 105.88114
_cell_volume 172.95267
_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
Pa1 Pa 0.35788 0.01377 0.48650 1.00000
Pa2 Pa 0.13600 0.98617 0.00993 1.00000
Pa3 Pa 0.14327 0.48977 0.51373 1.00000
Ir1 Ir 0.10603 0.77536 0.72458 1.00000
Ir2 Ir 0.42560 0.73852 0.29065 1.00000
Ir3 Ir 0.10320 0.27439 0.22563 1.00000
Ir4 Ir 0.36710 0.20969 0.76164 1.00000
Dy1 Dy 0.36058 0.51327 0.98710 1.00000
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