V4H2Ir
Alexandria ALEXAlex-ID: agm096239015 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_21_spg44
V3Ir VH2
2025-04-10 19:36:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096239015).
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 agm096239015
data_agm096239015
_cell_length_a 2.76925
_cell_length_b 3.85098
_cell_length_c 7.13282
_cell_angle_alpha 74.34547
_cell_angle_beta 95.29869
_cell_angle_gamma 89.99760
_cell_volume 72.90748
_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 0.96345 0.38226 0.16406 1.00000
V2 V 0.30706 0.19204 0.54400 1.00000
V3 V 0.62997 0.78518 0.35862 1.00000
V4 V 0.89224 0.57998 0.76851 1.00000
H1 H 0.08737 0.87287 0.18308 1.00000
H2 H 0.21144 0.69133 0.54579 1.00000
Ir1 Ir 0.40846 0.99634 0.93594 1.00000
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