Sep 4

Control: MnBi LTP (positive) — P6_3/mmc

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Overview

99

Structure

Formula: MnBi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 4

Structure

Formula: MnBi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 4

Lattice a, b, c

4.290 Å, 4.290 Å, 6.129 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

97.69 Å³

Density

8.97 g/cm³

Attribution

Connections

5

Derived assets

MnBi (P6_3/mmc) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -10379.1309 eV; energy change = -0.0059 eV

Included in datasets

Rare-earth-free magnet candidates
Single source of truth for the rare-earth-free permanent magnet discovery program (quest 01a06c81). One row per (candidate, attempt). Schema follows skills/discovery-loop.md: property columns carry values only with action receipts in actionids; stage/status enums gate tier-2 spend; ciffileid is a file-asset reference. Excluded elements: La through Lu, Sc, Y. Row hypothesisid='schema-v1' is a schema probe, not a candidate.

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Positive control CIF, magnet program. MnBi low-temperature phase (NiAs prototype, P6_3/mmc #194), hand-built at experimental lattice constants a=4.290 A, c=6.129 A. Validated 2026-09-04: parses in pymatgen; reduced formula MnBi; 4 sites (Mn2Bi2); SG #194 at symprec 0.01 and 0.1; density 8.97 g/cm3 (experimental ~8.9-9.0); min pair distance 2.912 A; ordered occupancies. Expected: ferromagnet, Ms ~0.7 T, Tc ~630 K; must PASS the tier-1 magnetic gates.

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Stats

Size: 861 B
Type: .cif file
Downloads: 5

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Connections

5

Derived assets

MnBi (P6_3/mmc) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -10379.1309 eV; energy change = -0.0059 eV

Included in datasets

Rare-earth-free magnet candidates
Single source of truth for the rare-earth-free permanent magnet discovery program (quest 01a06c81). One row per (candidate, attempt). Schema follows skills/discovery-loop.md: property columns carry values only with action receipts in actionids; stage/status enums gate tier-2 spend; ciffileid is a file-asset reference. Excluded elements: La through Lu, Sc, Y. Row hypothesisid='schema-v1' is a schema probe, not a candidate.