VH8Ir2Pd
Alexandria ALEXAlex-ID: agm007199907 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1431_spg1
H4Pd VH2 VIr3 H2
2024-03-26 10:50:24.854399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007199907).
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 agm007199907
data_agm007199907
_cell_length_a 4.33101
_cell_length_b 5.16123
_cell_length_c 5.04206
_cell_angle_alpha 78.62432
_cell_angle_beta 68.37401
_cell_angle_gamma 63.87896
_cell_volume 93.98971
_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
V1 V 0.98006 0.54009 0.52070 1.00000
H1 H 0.29242 0.70536 0.17845 1.00000
H2 H 0.05428 0.82325 0.67054 1.00000
H3 H 0.61204 0.42349 0.81379 1.00000
H4 H 0.16628 0.38935 0.85393 1.00000
H5 H 0.71019 0.91864 0.04742 1.00000
H6 H 0.49385 0.83556 0.67801 1.00000
H7 H 0.45211 0.20728 0.40564 1.00000
H8 H 0.93035 0.21871 0.42158 1.00000
Ir1 Ir 0.36199 0.90945 0.35268 1.00000
Ir2 Ir 0.59537 0.12071 0.72561 1.00000
Pd1 Pd 0.76852 0.35609 0.11861 1.00000
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