$\mathrm{NiF_{2}}$
AM
wave d
Identity
- Elements
- Ni, F
- Space group
- ${\mathrm{P}4_{2}/\mathrm{mnm}}$ (136)
- 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.
- ${\mathrm{P}4_{2}/\mathrm{mnm}}$ (136)
- References
Properties
- Band gap
- 5.268 eV
- Electronic type
- Semiconducting
- Min abundance
- 84.0 ppm
Spin-splitting metrics
- Max SS i Largest spin splitting identified within ±3 eV of the Fermi level in the high-throughput DFT workflow.
- 0.392 eV
- Avg SS i Brillouin-zone average of the largest spin splitting at each sampled k-point in the same energy window.
- 0.180 eV
- FΔ i Fraction of near-Fermi bands and sampled k-space showing appreciable spin splitting after the numerical noise cutoff.
- 27.1%
Figures
3 of 3 detail figures available from the mounted calculation archive.
Band structure
Crystal structure
Brillouin zone and path
Reciprocal-space box with labelled special points and the reported Δmax location when available.
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 |
|---|---|---|---|---|---|---|---|
| 0.36 | Noncollinear-derived | AM | d | $10^{-5}$ | ${\mathrm{Pnn}^{\prime}\mathrm{m}^{\prime}}$ (58.398) | 4/mmm | mmm |
MAGNDATA 0.36
$\mathrm{NiF_{2}}$
Collinearity
Noncollinear-derived
Phase
AM
Wave
d
- BNS (MCIF) i BNS setting indicated in the source MCIF file.
- ${\mathrm{Pnn}^{\prime}\mathrm{m}^{\prime}}$ (58.398)
- BNS
- ${\mathrm{P}4_{2}^{\prime}/\mathrm{mn}^{\prime}\mathrm{m}}$ (136.498)
- Parent SG
- ${\mathrm{P}4_{2}/\mathrm{mnm}}$ (136)
-
SYMPREC
i
Spglib symmetry tolerance
symprec, shown as an exponential base-10 value. - $10^{-5}$
- Connecting element
- $C_{4z}$
- G Laue class
- 4/mmm
- H Laue class
- mmm
- Spin-angle mismatch
- 1.7°
- Spin-length mismatch
- 1.000
- Reference links