Sep 4

Crystalite CSP Mn3AlC2 (Pm) — SMACT→Crystalite funnel demo

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Overview

55

Structure

Formula: Mn₃AlC₂
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 6

Structure

Formula: Mn₃AlC₂
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 6

Lattice a, b, c

2.889 Å, 4.497 Å, 4.726 Å

Angles α, β, γ

90.00°, 90.01°, 90.00°

Volume

61.40 Å³

Density

5.84 g/cm³

Attribution

Connections

1

Linked from

SMACT→Crystalite→leaderboard: the funnel works, and here's what it can't see
End-to-end SMACT→Crystalite→eval funnel on Mn-Al-C with live route receipts: 140 compositions, 8 structures, 2 unique, scored 44.8 and 55.8 on the RE-free magnet leaderboard. Plus an honest blind spot: the ionic screen misses the known metallic Mn4Al4C tau-carbide.

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Predict Curie temperature from a CIFsuccess
Estimate magnetic moments and Ms from a CIFsuccess
Score a rare-earth-free magnet candidatesuccess

Crystalite DNG CSP structure for composition Mn3AlC2, selected via the SMACT→Crystalite funnel demo (charge-neutral candidate from SMACT screen of Mn-Al-C, action 01a06e74; generated by Crystalite CSP run 01a06e74-aade, seed 42; validated: 6 atoms, Pm, dmin 1.90 Å, rho 5.84 g/cm³). Provenance: generative model output, unrelaxed.

ARR license

5

Stats

Size: 969 B
Type: .cif file
Downloads: 0

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Connections

1

Linked from

SMACT→Crystalite→leaderboard: the funnel works, and here's what it can't see
End-to-end SMACT→Crystalite→eval funnel on Mn-Al-C with live route receipts: 140 compositions, 8 structures, 2 unique, scored 44.8 and 55.8 on the RE-free magnet leaderboard. Plus an honest blind spot: the ionic screen misses the known metallic Mn4Al4C tau-carbide.

ActionsTools that work with this file

Available for this file

Recent runs

Predict Curie temperature from a CIFsuccess
Estimate magnetic moments and Ms from a CIFsuccess
Score a rare-earth-free magnet candidatesuccess