TaV(H4Pd)2
Alexandria ALEXAlex-ID: agm007617860 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1913_spg12
TaPd3 Ta2VH8 H4Pd VH2
2024-02-08 05:47:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007617860).
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 agm007617860
data_agm007617860
_cell_length_a 2.79743
_cell_length_b 5.28419
_cell_length_c 7.78864
_cell_angle_alpha 108.43308
_cell_angle_beta 79.57352
_cell_angle_gamma 90.09171
_cell_volume 107.23115
_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 0.00000 0.00000 0.00000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
H1 H 0.75543 0.32754 0.48661 1.00000
H2 H 0.94059 0.72059 0.11823 1.00000
H3 H 0.24457 0.67246 0.51339 1.00000
H4 H 0.91509 0.39836 0.17121 1.00000
H5 H 0.08491 0.60164 0.82879 1.00000
H6 H 0.59436 0.99966 0.81195 1.00000
H7 H 0.40564 0.00034 0.18805 1.00000
H8 H 0.05941 0.27941 0.88177 1.00000
Pd1 Pd 0.33230 0.34599 0.33499 1.00000
Pd2 Pd 0.66770 0.65401 0.66501 1.00000
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