Altermagnets Database

High-throughput computational screening for altermagnetic materials

$\mathrm{Ba_{3}CoSb_{2}O_{9}}$

ID anyt:am-1-0172

P6_3/mmc | Based on noncollinear | Semiconducting

AM wave d, g

Identity

Elements
Ba, Co, Sb, O
Space group i Parent crystallographic space-group.
${\mathrm{Cmcm}}$ (63), ${\mathrm{P}6_{3}/\mathrm{mmc}}$ (194)
MAGNDATA IDs i A screened entry may correspond to one or more entries in the MAGNDATA database.
ICSD IDs
151442
Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
${\mathrm{Cmcm}}$ (63), ${\mathrm{P}6_{3}/\mathrm{mmc}}$ (194)

Properties

KS Gap i The band gap from Kohn-Sham DFT.
2.439 eV
KS Gap Type
Semiconducting
Min abundance i Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.
0.200 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.
0.044 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.
0.038 eV
i Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.
24.8%

Figures

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

Band structure

Band structure has not been generated for this material yet.

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 figure has not been generated for this material yet.

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
1.0.44 Based on noncollinear AM d $10^{-5}$ ${\mathrm{Cm}^{\prime}\mathrm{c}2_{1}^{\prime}}$ (36.174) mmm 2/m
1.0.44 Based on noncollinear AM g $10^{-2}$ ${\mathrm{Cm}^{\prime}\mathrm{c}2_{1}^{\prime}}$ (36.174) 6/mmm -3m

MAGNDATA 1.0.44

$\mathrm{Ba_{3}CoSb_{2}O_{9}}$

Open entry
Collinearity Based on noncollinear
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
${\mathrm{Cmc}^{\prime}\mathrm{m}^{\prime}}$ (63.463)
Parent SG
${\mathrm{Cmcm}}$ (63)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-5}$
Connecting element
$C_{21}$
G Laue class
mmm
H Laue class
2/m
Spin-angle mismatch
60.0°

MAGNDATA 1.0.44

$\mathrm{Ba_{3}CoSb_{2}O_{9}}$

Open entry
Collinearity Based on noncollinear
Phase AM
Wave g
BNS (MCIF) i BNS setting indicated in the source MCIF file.
${\mathrm{Cm}^{\prime}\mathrm{c}2_{1}^{\prime}}$ (36.174)
BNS
${\mathrm{P}6_{3}^{\prime}/\mathrm{m}^{\prime}\mathrm{c}^{\prime}\mathrm{m}}$ (193.258)
Parent SG
${\mathrm{P}6_{3}/\mathrm{mmc}}$ (194)
SYMPREC i Spglib symmetry tolerance symprec, shown as an exponential base-10 value.
$10^{-2}$
Connecting element
$C_{2z}$
G Laue class
6/mmm
H Laue class
-3m
Spin-angle mismatch
60.0°