Ta2VH8
Alexandria ALEXAlex-ID: agm007300624 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_943_spg8
Ta2VH8
2025-05-28 05:59:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007300624).
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 agm007300624
data_agm007300624
_cell_length_a 3.41243
_cell_length_b 5.04327
_cell_length_c 5.32823
_cell_angle_alpha 117.94606
_cell_angle_beta 87.88050
_cell_angle_gamma 111.25031
_cell_volume 74.50724
_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
Ta1 Ta 0.42489 0.27152 0.60175 1.00000
Ta2 Ta 0.61888 0.67598 0.28294 1.00000
V1 V 0.22918 0.84924 0.92499 1.00000
H1 H 0.01394 0.03933 0.25627 1.00000
H2 H 0.32736 0.24820 0.94833 1.00000
H3 H 0.61063 0.27021 0.25502 1.00000
H4 H 0.18571 0.82608 0.52202 1.00000
H5 H 0.05650 0.55828 0.07846 1.00000
H6 H 0.05410 0.48116 0.59123 1.00000
H7 H 0.65997 0.72319 0.91896 1.00000
H8 H 0.81917 0.09076 0.65398 1.00000
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