AlZnFe(P2O7)2
Alexandria ALEXAlex-ID: agm011024885 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_1_spg1
Zn2P2O7 Al(PO3)3 ZnFe2(P2O7)2 AlPO4
2024-04-08 12:02:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011024885).
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 agm011024885
data_agm011024885
_cell_length_a 4.86846
_cell_length_b 6.85445
_cell_length_c 8.22670
_cell_angle_alpha 89.75258
_cell_angle_beta 91.84397
_cell_angle_gamma 108.03238
_cell_volume 260.90575
_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
Al1 Al 0.19941 0.71909 0.01865 1.00000
Zn1 Zn 0.18902 0.68428 0.63403 1.00000
Fe1 Fe 0.76501 0.24563 0.49108 1.00000
P1 P 0.61451 0.47985 0.82498 1.00000
P2 P 0.77795 0.89878 0.21668 1.00000
P3 P 0.22945 0.07774 0.73089 1.00000
P4 P 0.37683 0.50726 0.31546 1.00000
O1 O 0.99002 0.15914 0.67127 1.00000
O2 O 0.85964 0.09380 0.31973 1.00000
O3 O 0.83667 0.53547 0.96119 1.00000
O4 O 0.74751 0.49104 0.65473 1.00000
O5 O 0.51593 0.34058 0.34339 1.00000
O6 O 0.40547 0.02617 0.59126 1.00000
O7 O 0.43989 0.24138 0.85337 1.00000
O8 O 0.61454 0.72678 0.35109 1.00000
O9 O 0.56824 0.89161 0.07403 1.00000
O10 O 0.39263 0.60079 0.82554 1.00000
O11 O 0.25291 0.50741 0.14506 1.00000
O12 O 0.14671 0.49967 0.44720 1.00000
O13 O 0.12702 0.87750 0.82939 1.00000
O14 O 0.04783 0.84986 0.16981 1.00000
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