PmMn2MoO8
Alexandria ALEXAlex-ID: agm004889540 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_355_spg12
Mn2O3 MnO2 PmMn2O5 Pm2(MoO4)3
2023-01-04 11:17:28.602501
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004889540).
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 agm004889540
data_agm004889540
_cell_length_a 4.72464
_cell_length_b 4.72599
_cell_length_c 6.60039
_cell_angle_alpha 92.06595
_cell_angle_beta 92.07087
_cell_angle_gamma 88.14099
_cell_volume 147.11401
_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 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.50688 0.50688 0.75825 1.00000
Mn2 Mn 0.49312 0.49312 0.24175 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
O1 O 0.20463 0.79885 0.21186 1.00000
O2 O 0.70698 0.70649 0.98847 1.00000
O3 O 0.79833 0.20409 0.21181 1.00000
O4 O 0.79537 0.20115 0.78814 1.00000
O5 O 0.29302 0.29351 0.01153 1.00000
O6 O 0.20167 0.79591 0.78819 1.00000
O7 O 0.66804 0.66736 0.48549 1.00000
O8 O 0.33196 0.33264 0.51451 1.00000
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