Altermagnets Database

High-throughput computational screening for altermagnetic materials

$\mathrm{Fe_{4}O_{5}}$

Cmcm | Both | Metallic

AM wave d

Identity

Elements
Fe, O
Space group
${\mathrm{Cmcm}}$ (63)
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.
${\mathrm{Cmcm}}$ (63)

Properties

Band gap
0.000 eV
Electronic type
Metallic
Min abundance
56,300 ppm

Spin-splitting metrics

Max SS i Largest spin splitting identified within ±3 eV of the Fermi level in the high-throughput DFT workflow.
0.132 eV
Avg SS i Brillouin-zone average of the largest spin splitting at each sampled k-point in the same energy window.
0.076 eV
i Fraction of near-Fermi bands and sampled k-space showing appreciable spin splitting after the numerical noise cutoff.
13.9%

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
0.999 Naturally collinear AM d $10^{-5}$ ${\mathrm{Cm}^{\prime}\mathrm{c}2_{1}^{\prime}}$ (36.174) mmm 2/m
0.1000 Noncollinear-derived AM d $10^{-5}$ ${\mathrm{P}2_{1}^{\prime}}$ (4.9) mmm 2/m

MAGNDATA 0.999

$\mathrm{Fe_{4}O_{5}}$

Open entry
Collinearity Naturally collinear
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{Cm}^{\prime}\mathrm{c}2_{1}^{\prime}}$ (36.174)
BNS
${\mathrm{Cmc}^{\prime}2_{1}^{\prime}}$ (36.175)
Parent SG
${\mathrm{Cmcm}}$ (63)
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°
Spin-length mismatch
1.000
Reference links

MAGNDATA 0.1000

$\mathrm{Fe_{4}O_{5}}$

Open entry
Collinearity Noncollinear-derived
Phase AM
Wave d
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{P}2_{1}^{\prime}}$ (4.9)
BNS
${\mathrm{Cmc}^{\prime}2_{1}^{\prime}}$ (36.175)
Parent SG
${\mathrm{Cmcm}}$ (63)
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
65.8°
Spin-length mismatch
1.070
Reference links

Notes and warnings

  • Spglib mcif symmetry mismatch