Hf3VIn2(PO4)6
Alexandria ALEXAlex-ID: agm010951549 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_15_spg146
VPO4 InPO4 Hf2In(PO4)3
2025-01-30 11:40:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010951549).
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 agm010951549
data_agm010951549
_cell_length_a 9.46731
_cell_length_b 9.46731
_cell_length_c 9.46731
_cell_angle_alpha 54.57988
_cell_angle_beta 54.57988
_cell_angle_gamma 54.57988
_cell_volume 524.22345
_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 0.84974 0.84974 0.84974 1.00000
Hf2 Hf 0.65013 0.65013 0.65013 1.00000
Hf3 Hf 0.34993 0.34993 0.34993 1.00000
V1 V 0.15215 0.15215 0.15215 1.00000
In1 In 0.00832 0.00832 0.00832 1.00000
In2 In 0.50014 0.50014 0.50014 1.00000
P1 P 0.52476 0.25155 0.96609 1.00000
P2 P 0.25155 0.96609 0.52476 1.00000
P3 P 0.03292 0.45691 0.76058 1.00000
P4 P 0.76058 0.03292 0.45691 1.00000
P5 P 0.45691 0.76058 0.03292 1.00000
P6 P 0.96609 0.52476 0.25155 1.00000
O1 O 0.48221 0.75886 0.85687 1.00000
O2 O 0.85687 0.48221 0.75886 1.00000
O3 O 0.69291 0.07939 0.92344 1.00000
O4 O 0.75886 0.85687 0.48221 1.00000
O5 O 0.34924 0.24903 0.98917 1.00000
O6 O 0.55454 0.43219 0.80149 1.00000
O7 O 0.07939 0.92344 0.69291 1.00000
O8 O 0.43219 0.80149 0.55454 1.00000
O9 O 0.01210 0.63367 0.75417 1.00000
O10 O 0.80149 0.55454 0.43219 1.00000
O11 O 0.06497 0.29116 0.94045 1.00000
O12 O 0.75417 0.01210 0.63367 1.00000
O13 O 0.24903 0.98917 0.34924 1.00000
O14 O 0.92344 0.69291 0.07939 1.00000
O15 O 0.20098 0.41343 0.58693 1.00000
O16 O 0.98917 0.34924 0.24903 1.00000
O17 O 0.58693 0.20098 0.41343 1.00000
O18 O 0.94045 0.06497 0.29116 1.00000
O19 O 0.41343 0.58693 0.20098 1.00000
O20 O 0.63367 0.75417 0.01210 1.00000
O21 O 0.24837 0.13997 0.50634 1.00000
O22 O 0.29116 0.94045 0.06497 1.00000
O23 O 0.13997 0.50634 0.24837 1.00000
O24 O 0.50634 0.24837 0.13997 1.00000
