Research/Sitter/MAGNDATA / 1.677_Fe0.35NbS2.mcif

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Spin lattice of Fe0.35Nb1Se2Spin lattice of Fe0.35Nb1Se2

Fe0.35Nb1Se2

MAGNDATA entry 1.677 · 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 2 BNS 18.21
Point group2221′
Parent space groupP 63 2 2 No. 182
Spinscollinear · net moment 0 μB per cell
Propagation[1/2 1/4 0] 1k
Cella 11.5194 · b 9.9761 · c 12.1914 Å · α 90° · β 90° · γ 90°
Transition45 K (−228 °C)
Measured at5 K
Magnetic ionsFe
Largest moment component2.9 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 2 →
Atom sites · 12 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe000.75002.92.9
Fe2Fe00.66670.25
Nb1_1Nb00.66670
Nb1_2Nb00.66670.5
Nb2_1Nb000.0012
Nb2_2Nb0.250.83330.9988
S1_1S0.16470.66790.3712
S1_2S0.91670.83080.3712
S1_3S0.91850.50130.3712
S1_4S0.83530.66550.8712
S1_5S0.08330.50250.8712
S1_6S0.08150.8320.8712

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

⬇ 1.677_Fe0.35NbS2.mcif from MAGNDATA · entry page

sha256 of this copy: 504bafe20dac790994cb783d070c8425b60d9ddc55b21c69cf945dbbb6364446
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.677_Fe0.35NbS2.mcif.