V2H8Pt3
Alexandria ALEXAlex-ID: agm006380975 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_489_spg10
H10Pt VH2 VPt2
2024-02-25 05:24:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006380975).
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 agm006380975
data_agm006380975
_cell_length_a 2.68369
_cell_length_b 4.82696
_cell_length_c 9.86702
_cell_angle_alpha 91.02593
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 127.79740
_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 0.50000 0.65519 0.75599 1.00000
V2 V 0.50000 0.34481 0.24401 1.00000
H1 H 0.00000 0.19684 0.13420 1.00000
H2 H 0.00000 0.80316 0.86580 1.00000
H3 H 0.00000 0.68492 0.59059 1.00000
H4 H 0.00000 0.31508 0.40941 1.00000
H5 H 0.50000 0.65962 0.11353 1.00000
H6 H 0.50000 0.03616 0.68920 1.00000
H7 H 0.50000 0.96384 0.31080 1.00000
H8 H 0.50000 0.34038 0.88647 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.00000 0.17320 0.79352 1.00000
Pt3 Pt 0.00000 0.82680 0.20648 1.00000
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