Altermagnets Database

Identity

Elements

Fe, H, O, F

Space group i Parent crystallographic space-group.

${\mathrm{C}2/\mathrm{m}}$ (12)

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

• 0.582
• 2.61

ICSD IDs

n/a

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

${\mathrm{C}2/\mathrm{m}}$ (12)

References

• 10.1016/0304-8853(91)90849-6

Properties

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

2.686 eV

KS Gap Type

Semiconducting

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

585.0 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.

0.106 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.

0.065 eV

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

22.9%

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
0.582	Collinear	AM	d	$10^{-5}$	${\mathrm{C}2^{\prime}/\mathrm{m}^{\prime}}$ (12.62)	2/m	-1
2.61	Based on noncollinear	AM	d	$10^{-5}$	${\mathrm{C}2^{\prime}/\mathrm{m}^{\prime}}$ (12.62)	2/m	-1

MAGNDATA 0.582

$\mathrm{Fe_{3}F_{8}(H_{2}O)_{2}}$

Open entry

Collinearity Collinear

Phase AM

Wave d

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

${\mathrm{C}2^{\prime}/\mathrm{m}^{\prime}}$ (12.62)

BNS

${\mathrm{C}2^{\prime}/\mathrm{m}^{\prime}}$ (12.62)

Parent SG

${\mathrm{C}2/\mathrm{m}}$ (12)

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

$10^{-5}$

Connecting element

$C_{21}$

G Laue class

2/m

H Laue class

-1

Spin-angle mismatch

0.0°

Reference links

• 10.1016/0304-8853(91)90849-6

MAGNDATA 2.61

$\mathrm{Fe_{3}F_{8}(H_{2}O)_{2}}$

Open entry

Collinearity Based on noncollinear

Phase AM

Wave d

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

${\mathrm{C}2^{\prime}/\mathrm{m}^{\prime}}$ (12.62)

BNS

${\mathrm{C}2^{\prime}/\mathrm{c}^{\prime}}$ (15.89)

Parent SG

${\mathrm{C}2/\mathrm{m}}$ (12)

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

$10^{-5}$

Connecting element

$C_{21}$

G Laue class

2/m

H Laue class

-1

Spin-angle mismatch

72.7°

Reference links

• 10.1016/0304-8853(91)90849-6