Altermagnets Database

High-throughput computational screening for altermagnetic materials

$\mathrm{NiF_{2}}$

P4_2/mnm | Noncollinear-derived | Semiconducting

AM wave d

Identity

Elements
Ni, F
Space group
${\mathrm{P}4_{2}/\mathrm{mnm}}$ (136)
MAGNDATA IDs
ICSD IDs
n/a
Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
${\mathrm{P}4_{2}/\mathrm{mnm}}$ (136)

Properties

Band gap
5.268 eV
Electronic type
Semiconducting
Min abundance
84.0 ppm

Spin-splitting metrics

Max SS i Largest spin splitting identified within ±3 eV of the Fermi level in the high-throughput DFT workflow.
0.392 eV
Avg SS i Brillouin-zone average of the largest spin splitting at each sampled k-point in the same energy window.
0.180 eV
i Fraction of near-Fermi bands and sampled k-space showing appreciable spin splitting after the numerical noise cutoff.
27.1%

Figures

3 of 3 detail figures available from the mounted calculation archive.

Band structure

Spin-split band structure

Crystal structure

Crystal structure view

Brillouin zone and path

Reciprocal-space box with labelled special points and the reported Δmax location when available.

Brillouin zone and k-path

Symmetry screening

The summary table shows one row per linked MAGNDATA record and symmetry-precision variant. If a MAGNDATA ID has multiple Spglib symprec values in the source data, it appears on multiple rows. The cards below keep the same expanded per-variant detail view, including wave classification and mismatch metrics.

MAGNDATA ID Collinearity Phase Wave SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value. BNS (MCIF) i BNS setting indicated in the source MCIF file. G H
0.36 Noncollinear-derived AM d $10^{-5}$ ${\mathrm{Pnn}^{\prime}\mathrm{m}^{\prime}}$ (58.398) 4/mmm mmm

MAGNDATA 0.36

$\mathrm{NiF_{2}}$

Open entry
Collinearity Noncollinear-derived
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{Pnn}^{\prime}\mathrm{m}^{\prime}}$ (58.398)
BNS
${\mathrm{P}4_{2}^{\prime}/\mathrm{mn}^{\prime}\mathrm{m}}$ (136.498)
Parent SG
${\mathrm{P}4_{2}/\mathrm{mnm}}$ (136)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-5}$
Connecting element
$C_{4z}$
G Laue class
4/mmm
H Laue class
mmm
Spin-angle mismatch
1.7°
Spin-length mismatch
1.000