MnV6Re5
Alexandria ALEXAlex-ID: agm006115067 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
MnV VRe
2023-09-11 07:32:35.983305
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115067).
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
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# CIF generated by HEAS from Alexandria entry agm006115067
data_agm006115067
_cell_length_a 4.27112
_cell_length_b 6.04282
_cell_length_c 7.38400
_cell_angle_alpha 114.15337
_cell_angle_beta 106.81073
_cell_angle_gamma 90.00048
_cell_volume 164.92711
_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
Re1 Re 0.66546 0.16546 0.33092 1.00000
Re2 Re 0.33361 0.33361 0.66722 1.00000
Re3 Re 0.00000 0.50000 0.00000 1.00000
Re4 Re 0.66639 0.66639 0.33278 1.00000
Re5 Re 0.33454 0.83454 0.66908 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
V1 V 0.83515 0.58754 0.67025 1.00000
V2 V 0.83510 0.08270 0.67025 1.00000
V3 V 0.50006 0.75460 1.00000 1.00000
V4 V 0.49994 0.24540 0.00000 1.00000
V5 V 0.16490 0.91730 0.32975 1.00000
V6 V 0.16485 0.41246 0.32975 1.00000
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