Mn3V6Cr4O24
Alexandria ALEXAlex-ID: agm017060552 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C6D24_0_spg2
V4Cr2O13 Mn2V2O7 MnCr2O4
2024-10-16 08:46:43.480837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017060552).
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 agm017060552
data_agm017060552
_cell_length_a 6.76509
_cell_length_b 8.25812
_cell_length_c 9.97323
_cell_angle_alpha 106.15116
_cell_angle_beta 105.82210
_cell_angle_gamma 102.93552
_cell_volume 487.07813
_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 0.78691 0.80366 0.29862 1.00000
Mn2 Mn 0.50000 0.00000 0.00000 1.00000
Mn3 Mn 0.21309 0.19634 0.70138 1.00000
V1 V 0.60812 0.59750 0.83432 1.00000
V2 V 0.89710 0.24023 0.36845 1.00000
V3 V 0.10290 0.75977 0.63155 1.00000
V4 V 0.71678 0.15577 0.76652 1.00000
V5 V 0.28322 0.84423 0.23348 1.00000
V6 V 0.39188 0.40250 0.16568 1.00000
Cr1 Cr 0.54670 0.70303 0.51591 1.00000
Cr2 Cr 0.12132 0.53938 0.89602 1.00000
Cr3 Cr 0.45330 0.29697 0.48409 1.00000
Cr4 Cr 0.87868 0.46062 0.10398 1.00000
O1 O 0.03059 0.72517 0.23155 1.00000
O2 O 0.06296 0.62822 0.73414 1.00000
O3 O 0.32069 0.06268 0.31682 1.00000
O4 O 0.93704 0.37178 0.26586 1.00000
O5 O 0.63979 0.81143 0.91601 1.00000
O6 O 0.14917 0.25013 0.49787 1.00000
O7 O 0.67931 0.93732 0.68318 1.00000
O8 O 0.96941 0.27483 0.76845 1.00000
O9 O 0.71243 0.20584 0.95172 1.00000
O10 O 0.50934 0.21160 0.65598 1.00000
O11 O 0.26332 0.70058 0.53268 1.00000
O12 O 0.49066 0.78840 0.34402 1.00000
O13 O 0.37300 0.47529 0.85028 1.00000
O14 O 0.73668 0.29942 0.46732 1.00000
O15 O 0.42350 0.44789 0.35690 1.00000
O16 O 0.62700 0.52471 0.14972 1.00000
O17 O 0.85083 0.74987 0.50213 1.00000
O18 O 0.28757 0.79416 0.04828 1.00000
O19 O 0.24298 0.97754 0.76152 1.00000
O20 O 0.36021 0.18857 0.08399 1.00000
O21 O 0.57650 0.55211 0.64310 1.00000
O22 O 0.83830 0.54205 0.92718 1.00000
O23 O 0.75702 0.02246 0.23848 1.00000
O24 O 0.16170 0.45795 0.07282 1.00000
