Pm6Ir3Pb
Alexandria ALEXAlex-ID: agm005991122 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_257_spg11
Pm3IrPb Pm5Ir3 PmIr2
2023-09-20 01:57:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991122).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005991122
data_agm005991122
_cell_length_a 4.22178
_cell_length_b 11.88710
_cell_length_c 12.25984
_cell_angle_alpha 107.62314
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 586.38182
_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 0.75000 0.47324 0.60882 1.00000
Pm2 Pm 0.25000 0.52676 0.39118 1.00000
Pm3 Pm 0.75000 0.92583 0.08711 1.00000
Pm4 Pm 0.25000 0.07417 0.91289 1.00000
Pm5 Pm 0.75000 0.39158 0.04892 1.00000
Pm6 Pm 0.25000 0.60842 0.95108 1.00000
Pm7 Pm 0.75000 0.70621 0.26583 1.00000
Pm8 Pm 0.25000 0.29379 0.73417 1.00000
Pm9 Pm 0.75000 0.14558 0.46625 1.00000
Pm10 Pm 0.25000 0.85442 0.53375 1.00000
Pm11 Pm 0.75000 0.78967 0.76522 1.00000
Pm12 Pm 0.25000 0.21033 0.23478 1.00000
Ir1 Ir 0.75000 0.45486 0.83540 1.00000
Ir2 Ir 0.25000 0.54514 0.16460 1.00000
Ir3 Ir 0.75000 0.68023 0.50328 1.00000
Ir4 Ir 0.25000 0.31977 0.49672 1.00000
Ir5 Ir 0.75000 0.15946 0.07802 1.00000
Ir6 Ir 0.25000 0.84054 0.92198 1.00000
Pb1 Pb 0.75000 0.05298 0.69452 1.00000
Pb2 Pb 0.25000 0.94702 0.30548 1.00000
