Sep 4

Crystalite CSP MnAlC (P4mm) — SMACT→Crystalite funnel demo

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Overview

55

Structure

Formula: MnAlC
Space group: P4mm (99)
Crystal system: Tetragonal
Atoms per cell: 3

Structure

Formula: MnAlC
Space group: P4mm (99)
Crystal system: Tetragonal
Atoms per cell: 3

Lattice a, b, c

2.837 Å, 2.830 Å, 3.995 Å

Angles α, β, γ

89.98°, 90.01°, 90.01°

Volume

32.07 Å³

Density

4.86 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 MnAlC, 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: 3 atoms, P4mm, dmin 1.90 Å, rho 4.86 g/cm³). Provenance: generative model output, unrelaxed.

ARR license

5

Stats

Size: 811 B
Type: .cif file
Downloads: 0

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46

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