ZrV(H4Pd)2
Alexandria ALEXAlex-ID: agm007617772 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_292_spg12
VH2 ZrH3Pd ZrPd3 H4Pd
2025-05-28 05:59:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007617772).
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 agm007617772
data_agm007617772
_cell_length_a 3.23113
_cell_length_b 5.20917
_cell_length_c 6.22011
_cell_angle_alpha 80.85769
_cell_angle_beta 74.92138
_cell_angle_gamma 71.89570
_cell_volume 95.73642
_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
Zr1 Zr 0.69235 0.99493 0.74516 1.00000
V1 V 0.47360 0.89024 0.28719 1.00000
H1 H 0.86703 0.05492 0.33511 1.00000
H2 H 0.44273 0.17702 0.06114 1.00000
H3 H 0.10289 0.66273 0.25752 1.00000
H4 H 0.21173 0.83648 0.86499 1.00000
H5 H 0.00799 0.31543 0.79341 1.00000
H6 H 0.26143 0.07412 0.52795 1.00000
H7 H 0.68638 0.73036 0.02202 1.00000
H8 H 0.46201 0.64204 0.55811 1.00000
Pd1 Pd 0.84611 0.34051 0.09039 1.00000
Pd2 Pd 0.06136 0.48060 0.52192 1.00000
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