Ba3Ho2Mn4RuO15
Alexandria ALEXAlex-ID: agm010885578 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4E15_0_spg166
Ba3MnRu2O9 BaMnO3 HoMnO3
2024-05-31 08:47:54.346907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010885578).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010885578
data_agm010885578
_cell_length_a 5.71114
_cell_length_b 5.70139
_cell_length_c 11.87794
_cell_angle_alpha 89.49337
_cell_angle_beta 76.14865
_cell_angle_gamma 120.18404
_cell_volume 320.73167
_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
Ba1 Ba 0.01570 0.50773 0.50172 1.00000
Ba2 Ba 0.56909 0.26960 0.10647 1.00000
Ba3 Ba 0.39860 0.71801 0.89332 1.00000
Ho1 Ho 0.23551 0.17095 0.71451 1.00000
Ho2 Ho 0.70464 0.82115 0.30306 1.00000
Mn1 Mn 0.62785 0.81744 0.59588 1.00000
Mn2 Mn 0.42186 0.20370 0.40850 1.00000
Mn3 Mn 0.80616 0.41786 0.79055 1.00000
Mn4 Mn 0.17533 0.56959 0.20758 1.00000
Ru1 Ru 0.98221 0.98916 0.00158 1.00000
O1 O 0.57666 0.55807 0.48631 1.00000
O2 O 0.07773 0.03635 0.54796 1.00000
O3 O 0.59772 0.01375 0.46590 1.00000
O4 O 0.01438 0.21115 0.13407 1.00000
O5 O 0.94753 0.76748 0.86620 1.00000
O6 O 0.57094 0.74836 0.09513 1.00000
O7 O 0.37159 0.22288 0.90957 1.00000
O8 O 0.07339 0.77769 0.08690 1.00000
O9 O 0.90416 0.21273 0.89123 1.00000
O10 O 0.33645 0.87917 0.29474 1.00000
O11 O 0.62532 0.10329 0.70235 1.00000
O12 O 0.79629 0.45890 0.29264 1.00000
O13 O 0.21504 0.56642 0.68521 1.00000
O14 O 0.30148 0.38671 0.31464 1.00000
O15 O 0.65436 0.57185 0.70398 1.00000
