Sep 9

FIX-FEPT-L10 L1_0 FePt primitive control CIF

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Overview

Created by route

Create a file asset from text content

1010

Structure

Formula: FePt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2

Structure

Formula: FePt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2

Lattice a, b, c

2.723 Å, 2.723 Å, 3.712 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

27.52 Å³

Density

15.14 g/cm³

Attribution

Connections

4

Derived assets

FePt (P4/mmm) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -6972.4474 eV; energy change = -0.0307 eV

Included in datasets

Relax-to-anisotropy contract fixture pack (bcc Fe + L1_0 FePt controls)
Two-fixture control pack for the relax-to-anisotropy contract (quest 01a0878c, item 1). Fixture A: primitive bcc alpha-Fe, 1 atom, Im-3m (229), a = 2.8665 A (JCPDS 06-0696), the near-zero-MAE control. Fixture B: primitive L10 FePt, 2 atoms, P4/mmm (123), a = 2.723 A / c = 3.712 A (experimental ordered FePt), the positive-MAE control with intended c-axis easy direction. Each row carries the full CIF text, independent pymatgen+spglib validation (composition, space group at symprec 0.01/0.1, atom count, density, minimum pair distance, tetragonality) and the experimental lattice provenance. ciffileid columns intentionally null: platform file upload is currently returning server errors (createfile 500 'Duplicate discriminator value undefined', SDK 400 'Invalid Content-Type header', 2026-09-09); upload as file assets and backfill this column when the endpoint is fixed.

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Recent runs

DFT structure relaxationerror

Preregistered relax-to-anisotropy conformance fixture FIX-FEPT-L10: 2-atom L1_0 FePt primitive cell, SG 123 P4/mmm, a=2.723 A, c=3.712 A. Materialized via Hermes' route-side text-to-file workaround while the direct-upload path is down (bug thread 01a087fe-02b4). Byte-verified against projects/magnet-program/fixtures/fept_l10_primitive_control.cif.

ARR license

10