MnBi
MnBi has a DFT band gap of Metallic / not reported across 98 reported structures in 15 space groups. Cross-validated across 3 computational databases.
BiMn
At a glance
Key Properties
Cross-validated computational properties for MnBi, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Metallic / not reported
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.187 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Unstable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
98
3 databases, 15 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MnBi. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
0.64 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.091 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
3
jarvis, materials_project, oqmd
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for MnBi, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.1869 | 0.187 | — |
| — | — | 0.00 | 0.2025 | 0.203 | — |
| — | — | 0.00 | 0.2073 | 0.207 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2078 | -36.385 | 9.44 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.2188 | -36.374 | 9.63 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2776 | 0.278 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2776 | 0.278 | — |
| — | — | 0.00 | 0.2819 | 0.282 | — |
| — | — | 0.00 | 0.3201 | 0.320 | — |
| — | — | 0.00 | 0.3417 | 0.342 | — |
| — | — | 0.00 | 0.4340 | 0.434 | — |
| — | — | 0.00 | 0.4365 | 0.437 | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting MnBi.
Solid State
Procedure available · ceder_solid_state
Intellectual Property
Patent Landscape
6 patents reference MnBi or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 9847157 | Ferromagnetic β-MnBi alloy | — | — |
| 10695840 | Sintered magnet based on MnBi having improved heat stability and method of preparing the same | — | — |
| 10706997 | Preparation of MnBi LTP magnet by direct sintering | — | — |
| 9607740 | Hard-soft magnetic MnBi/SiO2/FeCo nanoparticles | — | — |
| 9796023 | Synthesis of ferromagnetic manganese-bismuth nanoparticles using a manganese-based ligated anionic-element rea | — | — |
| 9842678 | MnBi magnetic material | — | — |
Reference
Frequently Asked Questions
Common questions about MnBi, answered from cross-validated data.
What is the band gap of MnBi?
The reported DFT structures of MnBi show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
More questions
Is MnBi a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is MnBi thermodynamically stable?
MnBi has a lowest energy above hull of 0.187 eV/atom (unstable).
How many polymorphs of MnBi are known?
98 structures of MnBi are reported across 3 databases, spanning 15 distinct space groups.
How is MnBi synthesized?
Literature-reported routes for MnBi include solid state.
What elements does MnBi contain?
MnBi contains Bi and Mn (2 elements).
Where does the data for MnBi come from?
MnBi data is cross-referenced from oqmd, materials_project, jarvis, mpaloe.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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