$\mathrm{Ca_{3}MnCoO_{6}}$
Identity
- Elements
- Ca, Mn, Co, O
- Space group i Parent crystallographic space-group.
- ${\mathrm{R}3\mathrm{c}}$ (161), ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
- MAGNDATA IDs i A screened entry may correspond to one or more entries in the MAGNDATA database.
- ICSD IDs
- 93775
- Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
- ${\mathrm{R}3\mathrm{c}}$ (161), ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
- References
Properties
- KS Gap i The band gap from Kohn-Sham DFT.
- 2.003 eV
- KS Gap Type
- Semiconducting
- Min abundance i Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.
- 25.0 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.
- 0.063 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.
- 0.051 eV
- FΔ i Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.
- 18.8%
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 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 |
|---|---|---|---|---|---|---|---|
| 0.13 | Collinear | AM | g | $10^{-5}$ | ${\mathrm{R}3\mathrm{c}}$ (161.69) | -3m | -3 |
| 0.13 | Collinear | AM | g | $10^{-4}$ | ${\mathrm{R}3\mathrm{c}}$ (161.69) | -3m | -3 |
MAGNDATA 0.13
$\mathrm{Ca_{3}Co_{2}-xMnxO_{6}}$
- BNS (MCIF) i BNS setting indicated in the source MCIF file.
- ${\mathrm{R}3\mathrm{c}}$ (161.69)
- BNS
- ${\mathrm{R}3\mathrm{c}^{\prime}}$ (161.71)
- Parent SG
- ${\mathrm{R}3\mathrm{c}}$ (161)
-
SYMPREC
i
Spglib symmetry tolerance
symprec, shown as an exponential base-10 value. - $10^{-5}$
- Connecting element
- $Cs$
- G Laue class
- -3m
- H Laue class
- -3
- Spin-angle mismatch
- 0.0°
- Reference links
MAGNDATA 0.13
$\mathrm{Ca_{3}Co_{2}-xMnxO_{6}}$
- BNS (MCIF) i BNS setting indicated in the source MCIF file.
- ${\mathrm{R}3\mathrm{c}}$ (161.69)
- BNS
- ${\mathrm{R}3\mathrm{c}^{\prime}}$ (161.71)
- Parent SG
- ${\mathrm{R}\overline{3}\mathrm{c}}$ (167)
-
SYMPREC
i
Spglib symmetry tolerance
symprec, shown as an exponential base-10 value. - $10^{-4}$
- Connecting element
- $Cs$
- G Laue class
- -3m
- H Laue class
- -3
- Spin-angle mismatch
- 0.0°
- Reference links
Notes and warnings
- Spglib mcif symmetry mismatch
- Spglib mcif symmetry mismatch