Research/Sitter/MAGNDATA / 0.336_NdFeO3.mcif

NdFeO₃

MAGNDATA entry 0.336 · 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 ≤ 760 K (487 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n′ m a′ BNS 62.448
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 5.451 · b 5.5881 · c 7.7617 Å · α 90° · β 90° · γ 90°
Transition	760 K (487 °C)
Measured at	290 K
Magnetic ions	Fe, Nd
Largest moment component	3.84 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)
Nd1	Nd	0.4887	0.4513	0.75
Fe1	Fe	0.5	0	0	3.84	0	0	3.84
O1	O	0.5862	0.0244	0.75
O2	O	0.7048	0.295	0.046

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

W. Slawiński et al. J. Phys.: Condens. Matter (2005) · doi:10.1088/0953-8984/17/29/002

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.336_NdFeO3.mcif from MAGNDATA · entry page

sha256 of this copy: 7e4f1b9b926fc0128bd3e920c4bbe48772c09a1ace3e137367140194cdc36034
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.336_NdFeO3.mcif.