$\mathrm{Fe_{2}O_{3}}$
Identity
- Elements
- Fe, O
- Space group
- ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
- ICSD IDs
- n/a
- Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
- ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
- References
Properties
- Band gap
- 2.566 eV
- Electronic type
- Semiconducting
- 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.
- 0.237 eV
- Avg SS i Brillouin-zone average of the largest spin splitting at each sampled k-point in the same energy window.
- 0.152 eV
- FΔ i Fraction of near-Fermi bands and sampled k-space showing appreciable spin splitting after the numerical noise cutoff.
- 29.0%
Figures
0 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 figure has not been generated for this material yet.
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 | 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 |
|---|---|---|---|---|---|---|---|
| 0.66 | Naturally collinear | AM | g | $10^{-5}$ | ${\mathrm{P}\overline{1}}$ (2.4) | -3m | -3 |
| 0.65 | Naturally collinear | AM | g | $10^{-5}$ | ${\mathrm{C}2^{\prime}/\mathrm{c}^{\prime}}$ (15.89) | -3m | -3 |
MAGNDATA 0.66
$\mathrm{Fe_{2}O_{3}-alpha}$
- BNS (MCIF) i BNS setting indicated in the source MCIF file.
- ${\mathrm{P}\overline{1}}$ (2.4)
- BNS
- ${\mathrm{R}\overline{3}\mathrm{c}^{\prime}}$ (167.107)
- Parent SG
- ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
-
SYMPREC
i
Spglib symmetry tolerance
symprec, shown as an exponential base-10 value. - $10^{-5}$
- Connecting element
- $C_{21}$
- G Laue class
- -3m
- H Laue class
- -3
- Spin-angle mismatch
- 0.0°
- Spin-length mismatch
- 1.000
- Reference links
MAGNDATA 0.65
$\mathrm{Fe_{2}O_{3}-alpha}$
- BNS (MCIF) i BNS setting indicated in the source MCIF file.
- ${\mathrm{C}2^{\prime}/\mathrm{c}^{\prime}}$ (15.89)
- BNS
- ${\mathrm{R}\overline{3}\mathrm{c}^{\prime}}$ (167.107)
- Parent SG
- ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
-
SYMPREC
i
Spglib symmetry tolerance
symprec, shown as an exponential base-10 value. - $10^{-5}$
- Connecting element
- $C_{21}$
- G Laue class
- -3m
- H Laue class
- -3
- Spin-angle mismatch
- 0.0°
- Spin-length mismatch
- 1.000
- Reference links
Notes and warnings
- Spglib mcif symmetry mismatch
- Spglib mcif symmetry mismatch