ZnFeCo(P2O7)2
Alexandria ALEXAlex-ID: agm011030909 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_13_spg1
Zn2P2O7 ZnFe2(P2O7)2 CoPO4 Co(PO3)2 FePO6
2024-04-23 04:54:51.953898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011030909).
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 agm011030909
data_agm011030909
_cell_length_a 5.10634
_cell_length_b 7.16440
_cell_length_c 8.18900
_cell_angle_alpha 88.96664
_cell_angle_beta 93.36291
_cell_angle_gamma 111.28999
_cell_volume 278.65796
_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
Zn1 Zn 0.24718 0.84831 0.38289 1.00000
Fe1 Fe 0.47996 0.29077 0.51712 1.00000
Co1 Co 0.56455 0.73374 0.96715 1.00000
P1 P 0.84540 0.48621 0.19634 1.00000
P2 P 0.15241 0.91750 0.77749 1.00000
P3 P 0.83935 0.07605 0.27785 1.00000
P4 P 0.11774 0.51516 0.68214 1.00000
O1 O 0.12932 0.09137 0.35730 1.00000
O2 O 0.26169 0.11235 0.68584 1.00000
O3 O 0.70091 0.52280 0.03793 1.00000
O4 O 0.66928 0.46532 0.34429 1.00000
O5 O 0.80505 0.39280 0.67384 1.00000
O6 O 0.62845 0.06506 0.41229 1.00000
O7 O 0.88376 0.27258 0.17115 1.00000
O8 O 0.15483 0.75289 0.63448 1.00000
O9 O 0.34127 0.90293 0.92409 1.00000
O10 O 0.14532 0.63965 0.22644 1.00000
O11 O 0.25548 0.52303 0.85289 1.00000
O12 O 0.27811 0.47239 0.54524 1.00000
O13 O 0.72711 0.89379 0.16819 1.00000
O14 O 0.84247 0.85876 0.81497 1.00000
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