Research/Sitter/MAGNDATA / 0.786_NdVO3.mcif

NdVO₃

MAGNDATA entry 0.786 · 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 ²m²m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 135 K (−138 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁′/m′ BNS 11.54
Point group	2′/m′
Parent space group	P b n m No. 62
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.455 · b 5.5716 · c 7.7482 Å · α 90° · β 90° · γ 90°
Transition	135 K (−138 °C)
Measured at	88 K
Magnetic ions	Nd, V
Largest moment component	0.79 μ_B
Method	NSD

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 2₁′/m′ →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Nd1_1	Nd	0.9904	0.0498	0.25
Nd1_2	Nd	0.4904	0.4502	0.75
V1_1	V	0.5	0	0	−0.48	−0.79	0	0.9244
V1_2	V	0	0.5	0	0.48	0.79	0	0.9244
O1_1	O	0.5861	0.021	0.75
O1_2	O	0.0861	0.479	0.25
O2_1	O	0.704	0.2947	0.0453
O2_2	O	0.204	0.2053	0.9547

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

M. Reehuis et al. PHYSICAL REVIEW B (2006) · doi:10.1103/PhysRevB.73.094440

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.786_NdVO3.mcif from MAGNDATA · entry page

sha256 of this copy: 757c1346e5524649565ce992c00ea8ae74729b553f17106bdc58bf53dbcfc6ae
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.786_NdVO3.mcif.