MgVFe(P2O7)2
Alexandria ALEXAlex-ID: agm005238664 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_1_spg1
Mg2P2O7 Mg(PO3)2 VPO4 VP2O7 Fe3(P2O7)2
2023-05-08 21:25:26.602795
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238664).
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 agm005238664
data_agm005238664
_cell_length_a 4.92121
_cell_length_b 6.93389
_cell_length_c 8.38304
_cell_angle_alpha 89.76387
_cell_angle_beta 89.17171
_cell_angle_gamma 108.82927
_cell_volume 270.70700
_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
Mg1 Mg 0.81342 0.31072 0.13250 1.00000
V1 V 0.79307 0.28233 0.51276 1.00000
Fe1 Fe 0.23143 0.74924 0.98981 1.00000
P1 P 0.62021 0.49443 0.81858 1.00000
P2 P 0.78150 0.92001 0.21951 1.00000
P3 P 0.21315 0.09899 0.72343 1.00000
P4 P 0.39139 0.52181 0.31936 1.00000
O1 O 0.94370 0.15172 0.68499 1.00000
O2 O 0.88876 0.12088 0.31208 1.00000
O3 O 0.84547 0.50198 0.95027 1.00000
O4 O 0.74138 0.50459 0.65128 1.00000
O5 O 0.60588 0.39958 0.31381 1.00000
O6 O 0.40198 0.10261 0.57660 1.00000
O7 O 0.39261 0.26914 0.85166 1.00000
O8 O 0.57556 0.75823 0.34168 1.00000
O9 O 0.60038 0.96862 0.08332 1.00000
O10 O 0.46838 0.64956 0.84821 1.00000
O11 O 0.23946 0.50670 0.15675 1.00000
O12 O 0.18773 0.47270 0.46049 1.00000
O13 O 0.13659 0.90435 0.82316 1.00000
O14 O 0.01679 0.83975 0.16317 1.00000
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