Er6Mn2Pb
Alexandria ALEXAlex-ID: agm005705990 · 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
AB2C6_730_spg71
Er6Mn13Pb Er5Pb3 Er
2023-07-08 18:35:56.056287
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705990).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005705990
data_agm005705990
_cell_length_a 8.40303
_cell_length_b 8.40304
_cell_length_c 8.40304
_cell_angle_alpha 107.78798
_cell_angle_beta 109.96892
_cell_angle_gamma 110.67057
_cell_volume 456.44622
_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 0.47648 0.28719 0.18930 1.00000
Er2 Er 0.52352 0.71281 0.81070 1.00000
Er3 Er 0.90211 0.71281 0.18930 1.00000
Er4 Er 0.09789 0.28719 0.81070 1.00000
Er5 Er 0.22346 0.76812 0.99158 1.00000
Er6 Er 0.77654 0.23188 0.00842 1.00000
Er7 Er 0.77654 0.76812 0.54466 1.00000
Er8 Er 0.22346 0.23188 0.45534 1.00000
Er9 Er 0.29457 0.98204 0.68747 1.00000
Er10 Er 0.70543 0.01796 0.31253 1.00000
Er11 Er 0.70543 0.39289 0.68747 1.00000
Er12 Er 0.29457 0.60711 0.31253 1.00000
Mn1 Mn 0.50000 0.39420 0.89420 1.00000
Mn2 Mn 0.50000 0.60580 0.10580 1.00000
Mn3 Mn 0.38837 1.00000 0.38837 1.00000
Mn4 Mn 0.61163 0.00000 0.61163 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
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