HfVPH
Alexandria ALEXAlex-ID: agm073034591 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_30_spg62
HfPH VH2 HfVP
2024-10-29 02:39:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073034591).
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 agm073034591
data_agm073034591
_cell_length_a 3.33737
_cell_length_b 7.42187
_cell_length_c 7.81202
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 193.49972
_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
Hf1 Hf 0.25000 0.05560 0.82994 1.00000
Hf2 Hf 0.75000 0.94440 0.17006 1.00000
Hf3 Hf 0.75000 0.44440 0.32994 1.00000
Hf4 Hf 0.25000 0.55560 0.67006 1.00000
V1 V 0.25000 0.15833 0.45933 1.00000
V2 V 0.75000 0.84167 0.54067 1.00000
V3 V 0.75000 0.34167 0.95933 1.00000
V4 V 0.25000 0.65833 0.04067 1.00000
P1 P 0.25000 0.22529 0.15423 1.00000
P2 P 0.75000 0.77471 0.84577 1.00000
P3 P 0.75000 0.27471 0.65423 1.00000
P4 P 0.25000 0.72529 0.34577 1.00000
H1 H 0.75000 0.04002 0.40862 1.00000
H2 H 0.25000 0.95998 0.59138 1.00000
H3 H 0.25000 0.45998 0.90862 1.00000
H4 H 0.75000 0.54002 0.09138 1.00000
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