Research/Sitter/MAGNDATA / 0.1007_Fe0.25NbS2.mcif

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Spin lattice of Fe0.25Nb1S2Spin lattice of Fe0.25Nb1S2

Fe0.25Nb1S2

MAGNDATA entry 0.1007 · source
g-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. g-wave: 4 nodal planes.
Spin group ²6/²m¹m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 150 K (−123 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupP 63′/m′ m′ c BNS 194.268
Point group6′/m′mm′
Parent space groupP 63/m m c No. 194
Spinscollinear · 4 nodal planes · net moment 0 μB per cell
Propagation[0 0 0] 1k
Cella 6.6435 · b 6.6435 · c 12.0357 Å · α 90° · β 90° · γ 120°
Transition150 K (−123 °C)
Measured at3 K
Magnetic ionsFe
Largest moment component3.51 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 P 63′/m′ m′ c →
Atom sites · 5 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe000003.513.51
Nb1Nb000.25
Nb2Nb0.49410.98820.25
S1S0.33330.66670.6154
S2S0.83430.66860.6195

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

E. A. Lawrence et al. Inorg. Chem. (2023) · doi:10.1021/acs.inorgchem.3c02652

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1007_Fe0.25NbS2.mcif from MAGNDATA · entry page

sha256 of this copy: 7c0493848d3985008913002acb0e8ded706c0ba9a15d22cb39b238820dca9608
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1007_Fe0.25NbS2.mcif.