Research/Sitter/MAGNDATA / 1.0.64_Cr0.23TaS2.mcif

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Spin lattice of Cr0.226TaS2Spin lattice of Cr0.226TaS2

Cr0.226TaS2

MAGNDATA entry 1.0.64 · source
noncollinear antiferromagnet
All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).
ordered ≤ 145 K (−128 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupP 6′ 2′ m BNS 189.223
Point group6′m2′
Parent space groupP 63/m m c No. 194
Spinscoplanar · net moment 0 μB per cell
Propagation[1/3 1/3 0] 1k
Cella 11.464 · b 11.464 · c 11.961 Å · α 90° · β 90° · γ 120°
Transition145 K (−128 °C)
Measured at1.5 K
Magnetic ionsCr
Largest moment component2.39 μB
MethodNSD on WAND2

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 6′ 2′ m →
Atom sites · 14 sites · CSV
siteelementxyzmambmc|m| (μB)
Cr1Cr000.51.1952.3902.0698
Ta1Ta000.25
Ta2Ta000.75
Ta3Ta0.49500.25
Ta4Ta0.82830.66670.25
Ta5Ta0.33330.17170.75
Ta6Ta0.66670.83830.75
S1S0.33330.83370.3802
S2S0.66670.50030.3802
S3S0.1670.1670.8802
S4S0.50030.83370.8802
S5S0.33330.33330.118
S6S0.666700.118
S7S0.333300.618

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

Lilia S. Xie et al. Nat. Commun. (2025) · doi:10.1038/s41467-025-61211-4

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.0.64_Cr0.23TaS2.mcif from MAGNDATA · entry page

sha256 of this copy: 56983eeb43459fd0a6835804ced972a34e7af2217966ff2422135ab1465969bc
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.64_Cr0.23TaS2.mcif.