Research/Sitter/MAGNDATA / 1.676_Fe0.32NbS2.mcif

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Spin lattice of Fe0.32Nb1Se2Spin lattice of Fe0.32Nb1Se2

Fe0.32Nb1Se2

MAGNDATA entry 1.676 · source
antiferromagnet
No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.
Spin group ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 45 K (−228 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPC 21 21 21 BNS 19.29
Point group2221′
Parent space groupP 63 2 2 No. 182
Spinscollinear · net moment 0 μB per cell
Propagation[1/2 0 0] 1k
Cella 9.979 · b 5.7614 · c 12.1436 Å · α 90° · β 90° · γ 90°
Transition45 K (−228 °C)
Measured at5 K
Magnetic ionsFe
Largest moment component2.6 μB
MethodNSD

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 PC 21 21 21 →
Atom sites · 7 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe000.75002.62.6
Fe2Fe0.83330.50.25
Nb1Nb0.83330.50
Nb2Nb000.0011
S1_1S0.99880.33640.3708
S1_2S0.83240.830.3708
S1_3S0.66880.33360.3708

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

S. Wu et al. PHYSICAL REVIEW X (2022) · doi:10.1103/PhysRevX.12.021003

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.676_Fe0.32NbS2.mcif from MAGNDATA · entry page

sha256 of this copy: cdac772ed2d04f4c25fdf44fcac1bb87f6d286d612b48aa582379b1a318d8318
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.676_Fe0.32NbS2.mcif.