HfV3Sn2(PO4)6
Alexandria ALEXAlex-ID: agm010953368 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Sn3(PO4)2 VPO4 SnO2 HfP2O7
2025-02-18 04:06:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010953368).
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 agm010953368
data_agm010953368
_cell_length_a 9.21518
_cell_length_b 9.21518
_cell_length_c 9.21518
_cell_angle_alpha 56.04469
_cell_angle_beta 56.04469
_cell_angle_gamma 56.04469
_cell_volume 502.65120
_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 0.14703 0.14703 0.14703 1.00000
V1 V 0.64800 0.64800 0.64800 1.00000
V2 V 0.84763 0.84763 0.84763 1.00000
V3 V 0.34845 0.34845 0.34845 1.00000
Sn1 Sn 0.98224 0.98224 0.98224 1.00000
Sn2 Sn 0.48483 0.48483 0.48483 1.00000
P1 P 0.54310 0.25251 0.96237 1.00000
P2 P 0.25251 0.96237 0.54310 1.00000
P3 P 0.96237 0.54310 0.25251 1.00000
P4 P 0.03668 0.47163 0.74145 1.00000
P5 P 0.74145 0.03668 0.47163 1.00000
P6 P 0.47163 0.74145 0.03668 1.00000
O1 O 0.26943 0.13317 0.51669 1.00000
O2 O 0.13317 0.51669 0.26943 1.00000
O3 O 0.51669 0.26943 0.13317 1.00000
O4 O 0.72108 0.07093 0.93915 1.00000
O5 O 0.37629 0.22817 0.98941 1.00000
O6 O 0.57801 0.42204 0.78351 1.00000
O7 O 0.07093 0.93915 0.72108 1.00000
O8 O 0.42204 0.78351 0.57801 1.00000
O9 O 0.01651 0.64252 0.75299 1.00000
O10 O 0.78351 0.57801 0.42204 1.00000
O11 O 0.06207 0.29886 0.92027 1.00000
O12 O 0.75299 0.01651 0.64252 1.00000
O13 O 0.22817 0.98941 0.37629 1.00000
O14 O 0.93915 0.72108 0.07093 1.00000
O15 O 0.22330 0.43408 0.57127 1.00000
O16 O 0.98941 0.37629 0.22817 1.00000
O17 O 0.57127 0.22330 0.43408 1.00000
O18 O 0.92027 0.06207 0.29886 1.00000
O19 O 0.43408 0.57127 0.22330 1.00000
O20 O 0.64252 0.75299 0.01651 1.00000
O21 O 0.29886 0.92027 0.06207 1.00000
O22 O 0.49563 0.71249 0.87521 1.00000
O23 O 0.87521 0.49563 0.71249 1.00000
O24 O 0.71249 0.87521 0.49563 1.00000
