V2H6Pt
Alexandria ALEXAlex-ID: agm007295274 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1074_spg14
H10Pt VH2 VPt2
2024-03-10 19:01:17.735004
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007295274).
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 agm007295274
data_agm007295274
_cell_length_a 5.55810
_cell_length_b 5.12916
_cell_length_c 4.94828
_cell_angle_alpha 59.48254
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 121.52595
_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
V1 V 0.41133 0.85356 0.84364 1.00000
V2 V 0.91133 0.14644 0.65636 1.00000
V3 V 0.08867 0.85356 0.34364 1.00000
V4 V 0.58867 0.14644 0.15636 1.00000
H1 H 0.91117 0.15750 0.02012 1.00000
H2 H 0.81689 0.93708 0.47186 1.00000
H3 H 0.81421 0.55254 0.45850 1.00000
H4 H 0.31421 0.44746 0.04150 1.00000
H5 H 0.31689 0.06292 0.02814 1.00000
H6 H 0.41117 0.84250 0.47988 1.00000
H7 H 0.08883 0.84250 0.97988 1.00000
H8 H 0.18311 0.06292 0.52814 1.00000
H9 H 0.18579 0.44746 0.54150 1.00000
H10 H 0.68579 0.55254 0.95850 1.00000
H11 H 0.68311 0.93708 0.97186 1.00000
H12 H 0.58883 0.15750 0.52012 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.00000 0.50000 0.00000 1.00000
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