VHg(H4Pt)2
Alexandria ALEXAlex-ID: agm007471007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_776_spg12
H10Pt HgH4 VH2 VPt2
2024-02-09 13:34:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007471007).
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 agm007471007
data_agm007471007
_cell_length_a 4.89223
_cell_length_b 2.91704
_cell_length_c 9.27055
_cell_angle_alpha 62.02496
_cell_angle_beta 103.11027
_cell_angle_gamma 107.23575
_cell_volume 110.98618
_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 0.00000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.83737 0.33437 0.39047 1.00000
H2 H 0.19096 0.07709 0.34448 1.00000
H3 H 0.16263 0.66563 0.60953 1.00000
H4 H 0.80904 0.92291 0.65552 1.00000
H5 H 0.49425 0.00928 0.82466 1.00000
H6 H 0.50575 0.99072 0.17534 1.00000
H7 H 0.66547 0.45604 0.58441 1.00000
H8 H 0.33453 0.54396 0.41559 1.00000
Pt1 Pt 0.17581 0.98781 0.73308 1.00000
Pt2 Pt 0.82419 0.01219 0.26692 1.00000
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