ScMn2VO6
Alexandria ALEXAlex-ID: agm004951968 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Sc2MnO4 Mn3V2O8
2022-07-31 06:05:02.133143
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004951968).
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 agm004951968
data_agm004951968
_cell_length_a 5.13782
_cell_length_b 5.18863
_cell_length_c 5.56867
_cell_angle_alpha 62.33631
_cell_angle_beta 63.34550
_cell_angle_gamma 60.50590
_cell_volume 109.68171
_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
Sc1 Sc 0.81111 0.80663 0.57812 1.00000
Mn1 Mn 0.52977 0.53004 0.41045 1.00000
Mn2 Mn 0.01163 0.00488 0.97217 1.00000
V1 V 0.32172 0.33024 0.03486 1.00000
O1 O 0.59456 0.20928 0.23547 1.00000
O2 O 0.19727 0.95251 0.24005 1.00000
O3 O 0.95219 0.60372 0.23774 1.00000
O4 O 0.40025 0.72200 0.76669 1.00000
O5 O 0.72697 0.10472 0.76809 1.00000
O6 O 0.11611 0.39758 0.77157 1.00000
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