Al2VH8Pt
Alexandria ALEXAlex-ID: agm007201404 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1868_spg12
AlH9 VH2 Al3Pt2 H2
2024-01-28 09:45:11.314117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007201404).
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 agm007201404
data_agm007201404
_cell_length_a 5.39024
_cell_length_b 4.93887
_cell_length_c 4.59001
_cell_angle_alpha 78.24126
_cell_angle_beta 68.10049
_cell_angle_gamma 56.94277
_cell_volume 95.02348
_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
Al1 Al 0.16448 0.67084 0.50048 1.00000
Al2 Al 0.83552 0.32916 0.49952 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
H1 H 0.13484 0.25618 0.86360 1.00000
H2 H 0.60930 0.25588 0.13641 1.00000
H3 H 0.86516 0.74382 0.13640 1.00000
H4 H 0.47074 0.31539 0.67061 1.00000
H5 H 0.52926 0.68461 0.32939 1.00000
H6 H 0.21412 0.31593 0.32947 1.00000
H7 H 0.78588 0.68407 0.67053 1.00000
H8 H 0.39070 0.74412 0.86359 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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