Publications

Graphic showing how changing the amount of fluorine results in larger structural vibrations

Eliza K. Dempsey and James Cumby, Mixed anion control of negative thermal expansion in a niobium oxyfluoride, Chemical Communications, 2024, Advance Article
Schematic of ordered pairwise distances being combined with composition and earth mover's distance to quantify similarity between materials.

R.-Z..Zhang, S. Seth and J. Cumby, Grouped representation of interatomic distances as a similarity measure for crystal structures, Digital Discovery, 2, 2023, 81-90.
Image showing how both pressure and fluoride doping cause half-metallic behaviour in niobium oxyfluorides

E. K. Dempsey and J. Cumby, Metallic to half-metallic transition driven by pressure and anion composition in niobium oxyfluoride, Journal of Materials Chemistry C, 11, 2023, 1791-1797.
Section of lattice parameter variation graph showing negative thermal expansion.

E. Pachoud, J. Cumby, J.Wright, B. Raguž, R. Glaum and J. P. Attfield, Electronic origin of negative thermal expansion in V2OPO4, Chemical Communications, 56, 2020, 6523.
Distribution of anomalous site within the crystal lattice

E. Pachoud, J. Cumby, G. Perversi, J. P. Wright and J. P. Attfield, Site-selective doping of ordered charge states in magnetite, Nature Communications, 11, 2020, 1671.
Selection of current atomic structure descriptors

K. Rossi and J. Cumby, Representations and descriptors unifying the study of molecular and bulk systems, International Journal of Quantum Chemistry, 120, 2020, e26151.
Trimeron local ordering

G. Perversi, E. Pachoud, J. Cumby, J.M. Hudspeth, J.P. Wright, S.A.J. Kimber and J.P. Attfield, Co-emergence of magnetic order and structural fluctuations in magnetite, Nature Communications, 10, 2019, 2857.
CaFe3O5 crystal structure

K.H. Hong, J. Cumby, A. Arevalo-Lopez, C. Ritter and J.P. Attfield, Long range electronic phase separation in CaFe3O5, Nature Communications, 9, 2018, 2975.
TiOF single crystal diffraction

J. Cumby, M.B. Burchell and J.P. Attfield, High Pressure synthesis, crystal growth and magnetic properties of TiOF, Solid State Sciences, 80, 2018, 35-38.
Graph showing thermal expansion

E. Pachoud, J. Cumby, C. Lithgow and J.P. Attfield, Charge order and negative thermal expansion in V2OPO­4, Journal of the American Chemical Society, 140(2), 2018, 636-641.
Ellipsoidal Polyhedron description

J. Cumby and J.P. Attfield, Ellipsoidal Analysis of Coordination Polyhedra, Nature Communications, 8, 2017, 14235.
A lattice structure of an iron-containing mineral

J. Cumby, R.D. Bayliss, F.J. Berry and C. Greaves, Synthetic analogues of Fe(II)-Fe(III) minerals containing a pentagonal ‘Cairo’ magnetic lattice. Dalton Transactions, 45, 2016, 11801.
A set of graphs from the Hyperfine Interactions paper

R.D. Bayliss, F.J. Berry, J.C. Cumby, C. Greaves, J.C. Jumas and J.F. Marco, Synthetic versiliaite and apuanite: investigation by 57Fe Mössbauer spectroscopy, Hyperfine Interactions, 237, 2016, 1.
Table of contents image for the Chemical Communications paper

G. Perversi, J. Cumby, E. Pachoud, J.P. Wright and J.P. Attfield, The Verwey Structure of a natural magnetite, Chemical Communications, 52, 2016, 4864.
Chemical and magnetic structure of several materials

J. Cumby, B.P. de Laune and C. Greaves, The structures and magnetic properties of FexCo1-xSb2O4 and MnxCo1-xSb2O4, 0<= x<= 1, Journal of Materials Chemistry C, 4, 2016, 201.
Figure from the Physical Review B paper

M.S. Senn, J.P. Wright, J. Cumby and J.P. Attfield, Charge Localization in the Verwey structure of magnetite, Physical Review B, 92, 2015, 024104.