Mn2VH8Pt
Alexandria ALEXAlex-ID: agm007753554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1930_spg2
MnVPt2 MnH2 H10Pt VH2
2024-03-16 06:46:26.625788
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007753554).
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 agm007753554
data_agm007753554
_cell_length_a 4.88417
_cell_length_b 4.88417
_cell_length_c 6.22798
_cell_angle_alpha 76.83613
_cell_angle_beta 76.83613
_cell_angle_gamma 33.02181
_cell_volume 78.64691
_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 0.69548 0.69548 0.17808 1.00000
Mn2 Mn 0.30452 0.30452 0.82192 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
H1 H 0.31858 0.31858 0.09098 1.00000
H2 H 0.51048 0.51048 0.19235 1.00000
H3 H 0.68142 0.68142 0.90902 1.00000
H4 H 0.18860 0.18860 0.36642 1.00000
H5 H 0.81140 0.81140 0.63358 1.00000
H6 H 0.85256 0.85256 0.26959 1.00000
H7 H 0.14744 0.14744 0.73041 1.00000
H8 H 0.48952 0.48952 0.80765 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Get direct link