VH8Pt2Se
Alexandria ALEXAlex-ID: agm007618148 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1089_spg1
V(HSe)2 H10Pt VPt2 H3Pt
2024-02-10 19:02:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007618148).
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 agm007618148
data_agm007618148
_cell_length_a 3.12333
_cell_length_b 4.91420
_cell_length_c 9.50590
_cell_angle_alpha 68.92014
_cell_angle_beta 80.61291
_cell_angle_gamma 71.37882
_cell_volume 128.82032
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.63370 0.40971 0.32666 1.00000
H2 H 0.52155 0.83561 0.12463 1.00000
H3 H 0.36630 0.59029 0.67334 1.00000
H4 H 0.86598 0.08149 0.19127 1.00000
H5 H 0.13402 0.91851 0.80873 1.00000
H6 H 0.20093 0.38609 0.21539 1.00000
H7 H 0.79907 0.61391 0.78461 1.00000
H8 H 0.47845 0.16439 0.87537 1.00000
Pt1 Pt 0.70584 0.45718 0.13676 1.00000
Pt2 Pt 0.29416 0.54282 0.86324 1.00000
Se1 Se 0.50000 0.50000 0.50000 1.00000
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