Research/Sitter/MAGNDATA / 0.52_KyFe2-xSe2.mcif

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Spin lattice of KyFe2-xSe2Spin lattice of KyFe2-xSe2

KyFe2−xSe2

MAGNDATA entry 0.52 · source
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.
Spin group ²2/²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 560 K (287 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupC 2′/m′ BNS 12.62
Point group2′/m′
Parent space groupI 4/m No. 87
Spinscollinear · 1 nodal planes · net moment 0 μB per cell
Propagation[0 0 0] 1k
Cella 8.7302 · b 8.7302 · c 14.1149 Å · α 90° · β 90° · γ 90°
Transition560 K (287 °C)
Measured at300 K
Magnetic ionsFe
Largest moment component2.57 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 2′/m′ →
Atom sites · 9 sites · CSV
siteelementxyzmambmc|m| (μB)
K1K000
K2_1K0.3740.8160
K2_2K0.1840.3740
Fe1Fe00.50.25
Fe2_1Fe0.29530.5910.2495002.572.57
Fe2_2Fe0.4090.29530.249500−2.572.57
Se1_1Se0.38670.7950.6448
Se1_2Se0.2050.38670.6448
Se2Se000.642

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

V.Y. Pomjakushin et al. J. Phys.: Condens. Matter (2011) · doi:10.1088/0953-8984/23/15/156003

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.52_KyFe2-xSe2.mcif from MAGNDATA · entry page

sha256 of this copy: f7ba97ac4c773ef87139432b84340929b0d50fa118d24199d179183520eef12e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.52_KyFe2-xSe2.mcif.