Research/Sitter/MAGNDATA / 0.986_CaFe3O5.mcif

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Spin lattice of Ca1Fe3O5Spin lattice of Ca1Fe3O5

Ca1Fe3O5

MAGNDATA entry 0.986 · source
d-wave altermagnet
No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).
Spin group ¹m²m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 302 K (29 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupC m′ c m′ BNS 63.464
Point groupm′m′m
Parent space groupC m c m No. 63
Spinscollinear · 2 nodal planes · net moment 0 μB per cell
Propagation[0 0 0] 1k
Cella 3.01944 · b 9.99766 · c 12.61533 Å · α 90° · β 90° · γ 90°
Transition302 K (29 °C)
Measured at4 K
Magnetic ionsFe
Largest moment component3.63 μB
MethodNPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in C m′ c m′ →
Atom sites · 7 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe00.26690.111300−3.633.63
Fe2Fe000003.633.63
Ca1Ca00.51940.25
Fe3Fe00.51940.25
O1O00.19140.25
O2O00.64090.4485
O3O00.90380.1357

Moment components are along the crystal axes a, b, c (μB), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

K. H. Hong et al. NATURE COMMUNICATIONS (2018) · doi:10.1038/s41467-018-05363-6

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.986_CaFe3O5.mcif from MAGNDATA · entry page

sha256 of this copy: d9e92d9d1eeb8b9d681c5a3a06beae247919edc4318d17d928594ba47294a793
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.986_CaFe3O5.mcif.