MnRu18
Alexandria ALEXAlex-ID: agm066460832 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB18_8_spg2
MnRu3 Ru
2024-09-05 01:28:51.806962
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066460832).
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 agm066460832
data_agm066460832
_cell_length_a 6.40922
_cell_length_b 6.61949
_cell_length_c 7.06027
_cell_angle_alpha 109.70725
_cell_angle_beta 84.53542
_cell_angle_gamma 107.28871
_cell_volume 269.24790
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.53834 0.81356 0.42178 1.00000
Ru2 Ru 0.71015 0.50433 0.46181 1.00000
Ru3 Ru 0.73533 0.29339 0.90056 1.00000
Ru4 Ru 0.46166 0.18644 0.57822 1.00000
Ru5 Ru 0.28985 0.49567 0.53819 1.00000
Ru6 Ru 0.26467 0.70661 0.09944 1.00000
Ru7 Ru 0.84328 0.69939 0.17083 1.00000
Ru8 Ru 0.88170 0.20134 0.51510 1.00000
Ru9 Ru 0.19252 0.08497 0.28709 1.00000
Ru10 Ru 0.15672 0.30061 0.82917 1.00000
Ru11 Ru 0.11830 0.79866 0.48490 1.00000
Ru12 Ru 0.80748 0.91503 0.71291 1.00000
Ru13 Ru 0.43584 0.40451 0.14740 1.00000
Ru14 Ru 0.38376 0.93154 0.82004 1.00000
Ru15 Ru 0.01287 0.38782 0.21803 1.00000
Ru16 Ru 0.56416 0.59549 0.85260 1.00000
Ru17 Ru 0.61624 0.06846 0.17996 1.00000
Ru18 Ru 0.98713 0.61218 0.78197 1.00000
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