MnV2FeH6
Alexandria ALEXAlex-ID: agm007408071 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
Mn4H3 VH2 MnH2 FeH
2025-05-27 05:35:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007408071).
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 agm007408071
data_agm007408071
_cell_length_a 3.84574
_cell_length_b 4.83023
_cell_length_c 4.84158
_cell_angle_alpha 48.31606
_cell_angle_beta 66.84824
_cell_angle_gamma 66.80436
_cell_volume 60.59862
_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 0.00504 0.02869 0.04281 1.00000
V1 V 0.77332 0.75635 0.78609 1.00000
V2 V 0.27516 0.28639 0.25338 1.00000
Fe1 Fe 0.50627 0.53963 0.52567 1.00000
H1 H 0.38012 0.16059 0.66785 1.00000
H2 H 0.88062 0.17302 0.65757 1.00000
H3 H 0.53544 0.95434 0.11621 1.00000
H4 H 0.30485 0.71883 0.76003 1.00000
H5 H 0.03881 0.61301 0.46471 1.00000
H6 H 0.79936 0.26520 0.22465 1.00000
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