Mn(V4Cr)2
Alexandria ALEXAlex-ID: agm005952425 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_296_spg12
MnV4Cr V5Cr2 V
2023-10-01 16:49:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005952425).
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 agm005952425
data_agm005952425
_cell_length_a 4.17032
_cell_length_b 4.87539
_cell_length_c 7.20649
_cell_angle_alpha 90.79414
_cell_angle_beta 106.81871
_cell_angle_gamma 90.00000
_cell_volume 140.23940
_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 0.50000 0.00000 0.00000 1.00000
V1 V 0.41036 0.56024 0.82071 1.00000
V2 V 0.68017 0.91282 0.36034 1.00000
V3 V 0.77588 0.37418 0.55176 1.00000
V4 V 0.04340 0.73776 0.08680 1.00000
V5 V 0.22412 0.62582 0.44824 1.00000
V6 V 0.31983 0.08718 0.63966 1.00000
V7 V 0.58964 0.43976 0.17929 1.00000
V8 V 0.95660 0.26224 0.91320 1.00000
Cr1 Cr 0.86352 0.81718 0.72704 1.00000
Cr2 Cr 0.13648 0.18282 0.27296 1.00000
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