Altermagnets Database

Identity

Elements

Nb, V, S

Space group i Parent crystallographic space-group.

${\mathrm{C}222_{1}}$ (20), ${\mathrm{P}6_{3}22}$ (182)

MAGNDATA IDs i A screened entry may correspond to one or more entries in the MAGNDATA database.

• 0.712

ICSD IDs

42650

Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.

${\mathrm{C}222_{1}}$ (20), ${\mathrm{P}6_{3}22}$ (182)

References

• 10.1103/PhysRevMaterials.4.054416

Properties

KS Gap i The band gap from Kohn-Sham DFT.

0.000 eV

KS Gap Type

Metallic

Min abundance i Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.

20.0 ppm

Spin-splitting metrics

$\Delta E^{\mathrm{max}}_{\mathrm{split}}$ i Largest spin splitting within ±3 eV of the Fermi level in the high-throughput calculation.

0.161 eV

$\Delta E^{\mathrm{avg}}_{\mathrm{split}}$ i Brillouin-zone average of the largest spin splitting at each k-point within the same energy window.

0.057 eV

FΔ i Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.

31.2%

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 i Whether the magnetic configuration was collinear in MAGNDATA or constructed from a noncollinear entry.	Phase i Some materials also have non-altermagnetic (AM) phases predicted; AM for altermagnet and FiM for ferrimagnet.	Wave i Symmetry wave-class shorthand derived from the parent and halving-subgroup Laue classes used in the altermagnetism analysis.	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
0.712	Collinear	AM	d, g	$10^{-5}$	${\mathrm{C}2^{\prime}2^{\prime}2_{1}}$ (20.33)	mmm, 6/mmm	2/m, -3m

MAGNDATA 0.712

$\mathrm{VNb_{3}S_{6}}$

Open entry

Collinearity Collinear

Phase AM

Wave d, g

BNS (MCIF) i BNS setting indicated in the source MCIF file.

${\mathrm{C}2^{\prime}2^{\prime}2_{1}}$ (20.33)

BNS

${\mathrm{C}22^{\prime}2_{1}^{\prime}}$ (20.34), ${\mathrm{P}6_{3}^{\prime}2^{\prime}2}$ (182.181)

Parent SG

${\mathrm{C}222_{1}}$ (20), ${\mathrm{P}6_{3}22}$ (182)

SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.

$10^{-5}$

Connecting element

$C_{21}$, $C_{2z}$

G Laue class

mmm, 6/mmm

H Laue class

2/m, -3m

Spin-angle mismatch

0.0°

Reference links

• 10.1103/PhysRevMaterials.4.054416

Notes and warnings

• Spglib mcif symmetry mismatch
• Issues encountered while parsing CIF: 4 fractional coordinates rounded to ideal values to avoid issues with finite precision. Skipping relative stoichiometry check because CIF does not contain formula keys.