DyAl2VH8
Alexandria ALEXAlex-ID: agm007489022 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
AlH3 DyH3 VH2 Al3V
2024-02-09 05:58:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007489022).
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
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# CIF generated by HEAS from Alexandria entry agm007489022
data_agm007489022
_cell_length_a 4.15159
_cell_length_b 4.71854
_cell_length_c 5.93328
_cell_angle_alpha 92.15318
_cell_angle_beta 110.65933
_cell_angle_gamma 112.41370
_cell_volume 98.52958
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.57083 0.79317 0.37515 1.00000
Al2 Al 0.42917 0.20683 0.62485 1.00000
V1 V 0.00000 0.50000 0.50000 1.00000
H1 H 0.46764 0.82852 0.07763 1.00000
H2 H 0.05031 0.57219 0.21636 1.00000
H3 H 0.53236 0.17148 0.92237 1.00000
H4 H 0.00338 0.16718 0.36352 1.00000
H5 H 0.99662 0.83282 0.63648 1.00000
H6 H 0.44421 0.59539 0.74176 1.00000
H7 H 0.55579 0.40461 0.25824 1.00000
H8 H 0.94969 0.42781 0.78364 1.00000
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