Altermagnets Database

High-throughput computational screening for altermagnetic materials

$\mathrm{MnSiN_{2}}$

ID anyt:am-1-0028

Pna2_1 | Both | Semiconducting

FiM, AM wave s, d

Identity

Elements
Mn, Si, N
Space group i Parent crystallographic space-group.
${\mathrm{Pc}}$ (7), ${\mathrm{Pna}2_{1}}$ (33)
MAGNDATA IDs i A screened entry may correspond to one or more entries in the MAGNDATA database.
ICSD IDs
200019
Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
${\mathrm{Pc}}$ (7), ${\mathrm{Pna}2_{1}}$ (33)

Properties

KS Gap i The band gap from Kohn-Sham DFT.
2.733 eV
KS Gap Type
Semiconducting
Min abundance i Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.
19.0 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.
0.245 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.
0.114 eV
i Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.
18.8%

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
0.1067 Based on noncollinear FiM s $10^{-5}$ ${\mathrm{Pc}^{\prime}}$ (7.26) 2/m 2/m
0.1067 Based on noncollinear AM d $10^{-1}$ ${\mathrm{Pc}^{\prime}}$ (7.26) mmm 2/m
0.1066 Collinear AM d $10^{-5}$ ${\mathrm{Pn}^{\prime}\mathrm{a}2_{1}^{\prime}}$ (33.146) mmm 2/m

MAGNDATA 0.1067

$\mathrm{MnSiN_{2}}$

Open entry
Collinearity Based on noncollinear
Phase FiM
Wave s
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{Pc}^{\prime}}$ (7.26)
BNS
${\mathrm{Pc}}$ (7.24)
Parent SG
${\mathrm{Pc}}$ (7)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-5}$
Connecting element
n/a
G Laue class
2/m
H Laue class
2/m
Spin-angle mismatch
0.2°

MAGNDATA 0.1067

$\mathrm{MnSiN_{2}}$

Open entry
Collinearity Based on noncollinear
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{Pc}^{\prime}}$ (7.26)
BNS
${\mathrm{Pna}^{\prime}2_{1}^{\prime}}$ (33.147)
Parent SG
${\mathrm{Pna}2_{1}}$ (33)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-1}$
Connecting element
$C_{2z}$
G Laue class
mmm
H Laue class
2/m
Spin-angle mismatch
0.2°

MAGNDATA 0.1066

$\mathrm{MnSiN_{2}}$

Open entry
Collinearity Collinear
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{Pn}^{\prime}\mathrm{a}2_{1}^{\prime}}$ (33.146)
BNS
${\mathrm{Pna}^{\prime}2_{1}^{\prime}}$ (33.147)
Parent SG
${\mathrm{Pna}2_{1}}$ (33)
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
0.0°

Notes and warnings

  • Symmetry-disconnected spin lattices or missing connection symop; Symmetry-disconnected spin lattices
  • Spglib mcif symmetry mismatch