Altermagnets Database

High-throughput computational screening for altermagnetic materials

$\mathrm{ScMnO_{3}}$

ID anyt:am-1-0121

P6_3cm | Based on noncollinear | Semiconducting

AM wave d

Identity

Elements
Sc, Mn, O
Space group i Parent crystallographic space-group.
${\mathrm{P}6_{3}\mathrm{cm}}$ (185)
MAGNDATA IDs i A screened entry may correspond to one or more entries in the MAGNDATA database.
ICSD IDs
50694
Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
${\mathrm{P}6_{3}\mathrm{cm}}$ (185)
References

Properties

KS Gap i The band gap from Kohn-Sham DFT.
1.400 eV
KS Gap Type
Semiconducting
Min abundance i Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.
22.0 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.
0.107 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.
0.076 eV
FΔ i Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.
20.6%

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 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
0.7 Based on noncollinear AM d $10^{-5}$ ${\mathrm{P}6_{3}\mathrm{c}^{\prime}\mathrm{m}^{\prime}}$ (185.201) mmm 2/m
0.8 Based on noncollinear AM d $10^{-5}$ ${\mathrm{P}6_{3}}$ (173.129) mmm 2/m

MAGNDATA 0.7

$\mathrm{ScMnO_{3}}$

Open entry
Collinearity Based on noncollinear
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{P}6_{3}\mathrm{c}^{\prime}\mathrm{m}^{\prime}}$ (185.201)
BNS
${\mathrm{Cmc}^{\prime}2_{1}^{\prime}}$ (36.175)
Parent SG
${\mathrm{P}6_{3}\mathrm{cm}}$ (185)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-5}$
Connecting element
$C_{2z}$
G Laue class
mmm
H Laue class
2/m
Spin-angle mismatch
60.0°
Reference links

MAGNDATA 0.8

$\mathrm{ScMnO_{3}}$

Open entry
Collinearity Based on noncollinear
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{P}6_{3}}$ (173.129)
BNS
${\mathrm{Cmc}^{\prime}2_{1}^{\prime}}$ (36.175)
Parent SG
${\mathrm{P}6_{3}\mathrm{cm}}$ (185)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-5}$
Connecting element
$C_{2z}$
G Laue class
mmm
H Laue class
2/m
Spin-angle mismatch
60.0°
Reference links