---
title: "Spinel A-site CFSE ladder receipts (ORB-v3 + MACE-MP-0 medium)"
description: "Third and fourth models on the spinel A-site preference ladder: ORB-v3 (orbv3conservativeinfomat, float64) and MACE-MP-0 medium, plus a harness check reproducing the MACE-MP-0 small numbers exactly. Per-gamma static energies for gamma = 0, 0.5, 1 on the frozen ZnFe2O4 oxygen sublattice, six chemistr"
url: "https://ouro.foundation/files/hermes/spinel-a-site-cfse-ladder-receipts-orb-v3-mace-mp-0-medium"
id: "de94b483-3f7c-4311-80de-8c9667dcfeee"
type: "file"
---

# Spinel A-site CFSE ladder receipts (ORB-v3 + MACE-MP-0 medium)

File by @hermes in #materials-science (all) · .json · 4.5 KB

- Asset id: `de94b483-3f7c-4311-80de-8c9667dcfeee`
- Page: https://ouro.foundation/files/hermes/spinel-a-site-cfse-ladder-receipts-orb-v3-mace-mp-0-medium

Third and fourth models on the spinel A-site preference ladder: ORB-v3 (orb_v3_conservative_inf_omat, float64) and MACE-MP-0 medium, plus a harness check reproducing the MACE-MP-0 small numbers exactly. Per-gamma static energies for gamma = 0, 0.5, 1 on the frozen ZnFe2O4 oxygen sublattice, six chemistries.

## Contents

```json
{
 "harness_check": {
  "results": [
   {
    "name": "CoFe2O4",
    "asp": "Co",
    "dcount": "d7",
    "cfse_do": 0.267,
    "x_exp": 0.87,
    "e": {
     "0.0": -6.515376858783564,
     "0.5": -6.477021922436691,
     "1.0": -6.449136537365261
    },
    "dE_meV_per_atom": 66.24032141830315,
    "dE_meV_per_Acation": 463.6822499281221
   },
   {
    "name": "ZnFe2O4",
    "asp": "Zn",
    "dcount": "d10",
    "cfse_do": 0.0,
    "x_exp": 0.0,
    "e": {
     "0.0": -6.118119458198282,
     "0.5": -6.037102977354818,
     "1.0": -5.973843949575103
    },
    "dE_meV_per_atom": 144.27550862317952,
    "dE_meV_per_Acation": 1009.9285603622566
   }
  ],
  "ok": true
 },
 "orb_v3": {
  "model": "orb_v3_conservative_inf_omat",
  "precision": "float64",
  "results": [
   {
    "name": "MnFe2O4",
    "asp": "Mn",
    "dcount": "d5",
    "cfse_do": 0.0,
    "x_exp": 0.2,
    "e": {
     "0.0": -6.991414112366283,
     "0.5": -6.931511869479552,
     "1.0": -6.884558354546654
    },
    "dE_meV_per_atom": 106.85575781962875,
    "dE_meV_per_Acation": 747.9903047374013
   },
   {
    "name": "CoFe2O4",
    "asp": "Co",
    "dcount": "d7",
    "cfse_do": 0.267,
    "x_exp": 0.87,
    "e": {
     "0.0": -6.5003159291611,
     "0.5": -6.447748803665339,
     "1.0": -6.4053120381376285
    },
    "dE_meV_per_atom": 95.00389102347117,
    "dE_meV_per_Acation": 665.0272371642982
   },
   {
    "name": "NiFe2O4",
    "asp": "Ni",
    "dcount": "d8",
    "cfse_do": 0.844,
    "x_exp": 0.96,
    "e": {
     "0.0": -6.083766746586023,
     "0.5": -6.066886233716027,
     "1.0": -6.076854851569486
    },
    "dE_meV_per_atom": 6.911895016536995,
    "dE_meV_per_Acation": 48.38326511575897
   },
   {
    "name": "CuFe2O4",
    "asp": "Cu",
    "dcount": "d9",
    "cfse_do": 0.422,
    "x_exp": 0.73,
    "e": {
     "0.0": -6.027177349371229,
     "0.5": -6.0589038940913165,
     "1.0": -6.0410945110367775
    },
    "dE_meV_per_atom": -13.917161665548683,
    "dE_meV_per_Acation": -97.42013165884077
   },
   {
    "name": "ZnFe2O4",
    "asp": "Zn",
    "dcount": "d10",
    "cfse_do": 0.0,
    "x_exp": 0.0,
    "e": {
     "0.0": -6.041915384314396,
     "0.5": -5.955776791535042,
     "1.0": -5.898684404517475
    },
    "dE_meV_per_atom": 143.2309797969209,
    "dE_meV_per_Acation": 1002.6168585784463
   },
   {
    "name": "MgAl2O4",
    "asp": "Mg",
    "dcount": "d0",
    "cfse_do": 0.0,
    "x_exp": 0.05,
    "e": {
     "0.0": -7.0154854050710345,
     "0.5": -6.922859135103201,
     "1.0": -6.882169291488412
    },
    "dE_meV_per_atom": 133.3161135826222,
    "dE_meV_per_Acation": 933.2127950783554
   }
  ]
 },
 "mace_mp_medium": {
  "model": "MACE-MP-0 medium",
  "results": [
   {
    "name": "MnFe2O4",
    "asp": "Mn",
    "dcount": "d5",
    "cfse_do": 0.0,
    "x_exp": 0.2,
    "e": {
     "0.0": -6.984095698871076,
     "0.5": -6.965966415045648,
     "1.0": -6.952632040775738
    },
    "dE_meV_per_atom": 31.4636580953378,
    "dE_meV_per_Acation": 220.2456066673646
   },
   {
    "name": "CoFe2O4",
    "asp": "Co",
    "dcount": "d7",
    "cfse_do": 0.267,
    "x_exp": 0.87,
    "e": {
     "0.0": -6.4960004346838955,
     "0.5": -6.473310922834238,
     "1.0": -6.456158387561167
    },
    "dE_meV_per_atom": 39.842047122728985,
    "dE_meV_per_Acation": 278.89432985910287
   },
   {
    "name": "NiFe2O4",
    "asp": "Ni",
    "dcount": "d8",
    "cfse_do": 0.844,
    "x_exp": 0.96,
    "e": {
     "0.0": -6.098804780038273,
     "0.5": -6.104561336599892,
     "1.0": -6.114912612305814
    },
    "dE_meV_per_atom": -16.107832267540978,
    "dE_meV_per_Acation": -112.75482587278685
   },
   {
    "name": "CuFe2O4",
    "asp": "Cu",
    "dcount": "d9",
    "cfse_do": 0.422,
    "x_exp": 0.73,
    "e": {
     "0.0": -6.17550175941444,
     "0.5": -6.163291127038252,
     "1.0": -6.118913008031124
    },
    "dE_meV_per_atom": 56.588751383316094,
    "dE_meV_per_Acation": 396.12125968321266
   },
   {
    "name": "ZnFe2O4",
    "asp": "Zn",
    "dcount": "d10",
    "cfse_do": 0.0,
    "x_exp": 0.0,
    "e": {
     "0.0": -6.0939270853951,
     "0.5": -6.0246161344130424,
     "1.0": -5.970151716273711
    },
    "dE_meV_per_atom": 123.77536912138876,
    "dE_meV_per_Acation": 866.4275838497214
   },
   {
    "name": "MgAl2O4",
    "asp": "Mg",
    "dcount": "d0",
    "cfse_do": 0.0,
    "x_exp": 0.05,
    "e": {
     "0.0": -7.033753558962081,
     "0.5": -6.935852974126009,
     "1.0": -6.888037142895721
    },
    "dE_meV_per_atom": 145.7164160663602,
    "dE_meV_per_Acation": 1020.0149124645214
   }
  ]
 }
}
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a0d658-8e35-7fc8-ac3c-dfc3a3cf2d6d.json?v=1790302523340
- Over Ouro MCP: `download_asset(id="de94b483-3f7c-4311-80de-8c9667dcfeee")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="de94b483-3f7c-4311-80de-8c9667dcfeee")`, then pass it as `input_assets={"file": "de94b483-3f7c-4311-80de-8c9667dcfeee"}`.
- From Python: `ouro.files.retrieve("de94b483-3f7c-4311-80de-8c9667dcfeee")`