$\mathrm{Na_{2}MnH_{8}(C_{3}O_{5})_{2}}$
ID
anyt:am-1-0153
AM
wave d
Identity
- Elements
- Na, Mn, H, C, O
- Space group i Parent crystallographic space-group.
- ${\mathrm{Pbca}}$ (61)
- MAGNDATA IDs i A screened entry may correspond to one or more entries in the MAGNDATA database.
- ICSD IDs
- n/a
- Parent space group(s) i Parent nonmagnetic space group(s) reported by the MAGNDATA-based symmetry analysis after Spglib standardisation.
- ${\mathrm{Pbca}}$ (61)
- References
- n/a
Properties
- KS Gap i The band gap from Kohn-Sham DFT.
- 3.726 eV
- KS Gap Type
- Semiconducting
- Min abundance i Minimum crustal abundance among the constituent elements, reported in ppm as a simple scarcity proxy.
- 200.0 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.
- 0.073 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.
- 0.053 eV
- FΔ i Fraction of the sampled Brillouin zone and near-Fermi bands with appreciable spin splitting.
- 15.5%
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 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 |
|---|---|---|---|---|---|---|---|
| 0.955 | Collinear | AM | d | $10^{-5}$ | ${\mathrm{Pbca}}$ (61.433) | mmm | 2/m |
MAGNDATA 0.955
$\mathrm{Na_{2}Mn(H_{2}C_{3}O_{4})_{2} (H_{2}O)_{2}}$
Collinearity
Collinear
Phase
AM
Wave
d
- BNS (MCIF) i BNS setting indicated in the source MCIF file.
- ${\mathrm{Pbca}}$ (61.433)
- BNS
- ${\mathrm{Pb}^{\prime}\mathrm{c}^{\prime}\mathrm{a}}$ (61.436)
- Parent SG
- ${\mathrm{Pbca}}$ (61)
-
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
- 0.0°
- Reference links
- n/a