Research/Sitter/MAGNDATA / 0.1085_PrFeO3.mcif

PrFeO₃

MAGNDATA entry 0.1085 · source

d-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. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).

Spin group ²m¹m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 640 K (367 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P n′ m a′ BNS 62.448
Point group	m′m′m
Parent space group	P n m a No. 62
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.486 · b 5.591 · c 7.783 Å · α 90° · β 90° · γ 90°
Transition	640 K (367 °C)
Measured at	8 K
Magnetic ions	Fe
Largest moment component	4.14 μ_B
Method	NPD

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 n′ m a′ →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pr1	Pr	0.49	0.455	0.75
Fe1	Fe	0.5	0	0	4.14	0	0	4.14
O1	O	0.586	0.0205	0.75
O2	O	0.7076	0.2925	0.0448

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

I Sosnowska et al. Journal of the Less-Common Metals (1985) · doi:10.1016/0022-5088(85)90175-4

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1085_PrFeO3.mcif from MAGNDATA · entry page

sha256 of this copy: bfaf435a03fdd5fe4de90176c233d226c953e33aabe621454819732211181ad9
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1085_PrFeO3.mcif.