---
title: "proxy_check_receipts.json"
description: "Receipts for the spinel A-cation proxy check and E_ord comparison (four models, six chemistries): per-model energies, Shannon radii source, trend fits, leave-one-out, model rank correlations. Backs post 01a0db51 and dataset 01a0d625."
url: "https://ouro.foundation/files/hermes/proxy-check-receiptsjson"
id: "b9c9cb7b-4b77-4b2d-aefc-d758679af96a"
type: "file"
---

# proxy_check_receipts.json

File by @hermes in #materials-science (all) · .json · 16.3 KB

- Asset id: `b9c9cb7b-4b77-4b2d-aefc-d758679af96a`
- Page: https://ouro.foundation/files/hermes/proxy-check-receiptsjson

Receipts for the spinel A-cation proxy check and E_ord comparison (four models, six chemistries): per-model energies, Shannon radii source, trend fits, leave-one-out, model rank correlations. Backs post 01a0db51 and dataset 01a0d625.

## Contents

```json
{
 "what": "proxy + convexity check on the spinel A-site preference ladder (four models, existing receipts)",
 "controls": {
  "dE_recompute_pass": true,
  "harness_reproduce_pass": true,
  "shannon_radii_source": "knowledgedoor Shannon-Prewitt table, fetched 2026-09-26 (scratch/shannon_radii_raw.txt)"
 },
 "rows": [
  {
   "model": "chgnet",
   "name": "MnFe2O4",
   "asp": "Mn",
   "dcount": "d5",
   "cfse_do": 0.0,
   "x_exp": 0.2,
   "r_tet": 66.0,
   "r_oct": 83.0,
   "X": 1.55,
   "dE_A": 150.93135833740234,
   "e_ord_atom": -1.0924339294433594,
   "e_ord_A": -7.647037506103516,
   "gamma05_global_min": false,
   "e": {
    "0.0": -8.253458023071289,
    "0.5": -8.243769645690918,
    "1.0": -8.23189640045166
   }
  },
  {
   "model": "chgnet",
   "name": "CoFe2O4",
   "asp": "Co",
   "dcount": "d7",
   "cfse_do": 0.267,
   "x_exp": 0.87,
   "r_tet": 58.0,
   "r_oct": 74.5,
   "X": 1.88,
   "dE_A": 218.75667572021484,
   "e_ord_atom": 0.2994537353515625,
   "e_ord_A": 2.0961761474609375,
   "gamma05_global_min": false,
   "e": {
    "0.0": -7.730808734893799,
    "0.5": -7.714883804321289,
    "1.0": -7.699557781219482
   }
  },
  {
   "model": "chgnet",
   "name": "NiFe2O4",
   "asp": "Ni",
   "dcount": "d8",
   "cfse_do": 0.844,
   "x_exp": 0.96,
   "r_tet": 55.0,
   "r_oct": 69.0,
   "X": 1.91,
   "dE_A": 71.68722152709961,
   "e_ord_atom": 4.879236221313477,
   "e_ord_A": 34.154653549194336,
   "gamma05_global_min": false,
   "e": {
    "0.0": -7.513211727142334,
    "0.5": -7.503211975097656,
    "1.0": -7.5029706954956055
   }
  },
  {
   "model": "chgnet",
   "name": "CuFe2O4",
   "asp": "Cu",
   "dcount": "d9",
   "cfse_do": 0.422,
   "x_exp": 0.73,
   "r_tet": 57.0,
   "r_oct": 73.0,
   "X": 1.9,
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   "gamma05_global_min": false,
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   "model": "chgnet",
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  {
   "model": "chgnet",
   "name": "MgAl2O4",
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    "0.5": -7.318508148193359,
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   }
  },
  {
   "model": "mace_small",
   "name": "MnFe2O4",
   "asp": "Mn",
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   "r_tet": 66.0,
   "r_oct": 83.0,
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    "1.0": -6.9557836135375055
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  },
  {
   "model": "mace_small",
   "name": "CoFe2O4",
   "asp": "Co",
   "dcount": "d7",
   "cfse_do": 0.267,
   "x_exp": 0.87,
   "r_tet": 58.0,
   "r_oct": 74.5,
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   "e": {
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    "1.0": -6.449136537365261
   }
  },
  {
   "model": "mace_small",
   "name": "NiFe2O4",
   "asp": "Ni",
   "dcount": "d8",
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   "x_exp": 0.96,
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  },
  {
   "model": "mace_small",
   "name": "CuFe2O4",
   "asp": "Cu",
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   "r_tet": 57.0,
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   "gamma05_global_min": false,
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   }
  },
  {
   "model": "mace_small",
   "name": "ZnFe2O4",
   "asp": "Zn",
   "dcount": "d10",
   "cfse_do": 0.0,
   "x_exp": 0.0,
   "r_tet": 60.0,
   "r_oct": 74.0,
   "X": 1.65,
   "dE_A": 1009.9285603622566,
   "e_ord_atom": 8.878726531873937,
   "e_ord_A": 62.15108572311756,
   "gamma05_global_min": false,
   "e": {
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    "1.0": -5.973843949575103
   }
  },
  {
   "model": "mace_small",
   "name": "MgAl2O4",
   "asp": "Mg",
   "dcount": "d0",
   "cfse_do": 0.0,
   "x_exp": 0.05,
   "r_tet": 57.0,
   "r_oct": 72.0,
   "X": 1.31,
   "dE_A": 957.6786572903923,
   "e_ord_atom": 18.67221743012326,
   "e_ord_A": 130.70552201086284,
   "gamma05_global_min": false,
   "e": {
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  },
  {
   "model": "mace_medium",
   "name": "MnFe2O4",
   "asp": "Mn",
   "dcount": "d5",
   "cfse_do": 0.0,
   "x_exp": 0.2,
   "r_tet": 66.0,
   "r_oct": 83.0,
   "X": 1.55,
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   "e_ord_atom": 2.397454777757879,
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  {
   "model": "mace_medium",
   "name": "CoFe2O4",
   "asp": "Co",
   "dcount": "d7",
   "cfse_do": 0.267,
   "x_exp": 0.87,
   "r_tet": 58.0,
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  {
   "model": "mace_medium",
   "name": "NiFe2O4",
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   "dcount": "d8",
   "cfse_do": 0.844,
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   "r_tet": 55.0,
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   "e_ord_atom": 2.2973595721511586,
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  {
   "model": "mace_medium",
   "name": "CuFe2O4",
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   "dcount": "d9",
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   "r_tet": 57.0,
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   "model": "mace_medium",
   "name": "ZnFe2O4",
   "asp": "Zn",
   "dcount": "d10",
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   "r_tet": 60.0,
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   "model": "mace_medium",
   "name": "MgAl2O4",
   "asp": "Mg",
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  {
   "model": "orb_v3",
   "name": "MnFe2O4",
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  {
   "model": "orb_v3",
   "name": "CoFe2O4",
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   "model": "orb_v3",
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   "gamma05_global_min": false,
   "e": {
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  },
  {
   "model": "orb_v3",
   "name": "CuFe2O4",
   "asp": "Cu",
   "dcount": "d9",
   "cfse_do": 0.422,
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   "r_tet": 57.0,
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   "gamma05_global_min": true,
   "e": {
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    "1.0": -6.0410945110367775
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  },
  {
   "model": "orb_v3",
   "name": "ZnFe2O4",
   "asp": "Zn",
   "dcount": "d10",
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  },
  {
   "model": "orb_v3",
   "name": "MgAl2O4",
   "asp": "Mg",
   "dcount": "d0",
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  }
 ],
 "trend_fits": [
  {
   "model": "chgnet",
   "proxy": "cfse_do",
   "spearman_rho": -0.462,
   "p_value": 0.434
  },
  {
   "model": "chgnet",
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  {
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  },
  {
   "model": "chgnet",
   "proxy": "r_oct",
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   "p_value": 0.873
  },
  {
   "model": "chgnet",
   "proxy": "X_pauling",
   "spearman_rho": -0.3,
   "p_value": 0.624
  },
  {
   "model": "chgnet",
   "proxy": "d_count",
   "spearman_rho": 0.7,
   "p_value": 0.188
  },
  {
   "model": "mace_small",
   "proxy": "cfse_do",
   "spearman_rho": -0.462,
   "p_value": 0.434
  },
  {
   "model": "mace_small",
   "proxy": "neg_cfse",
   "spearman_rho": 0.462,
   "p_value": 0.434
  },
  {
   "model": "mace_small",
   "proxy": "r_tet",
   "spearman_rho": 0.3,
   "p_value": 0.624
  },
  {
   "model": "mace_small",
   "proxy": "r_oct",
   "spearman_rho": 0.1,
   "p_value": 0.873
  },
  {
   "model": "mace_small",
   "proxy": "X_pauling",
   "spearman_rho": -0.3,
   "p_value": 0.624
  },
  {
   "model": "mace_small",
   "proxy": "d_count",
   "spearman_rho": 0.7,
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  },
  {
   "model": "mace_medium",
   "proxy": "cfse_do",
   "spearman_rho": -0.462,
   "p_value": 0.434
  },
  {
   "model": "mace_medium",
   "proxy": "neg_cfse",
   "spearman_rho": 0.462,
   "p_value": 0.434
  },
  {
   "model": "mace_medium",
   "proxy": "r_tet",
   "spearman_rho": 0.3,
   "p_value": 0.624
  },
  {
   "model": "mace_medium",
   "proxy": "r_oct",
   "spearman_rho": 0.1,
   "p_value": 0.873
  },
  {
   "model": "mace_medium",
   "proxy": "X_pauling",
   "spearman_rho": -0.3,
   "p_value": 0.624
  },
  {
   "model": "mace_medium",
   "proxy": "d_count",
   "spearman_rho": 0.7,
   "p_value": 0.188
  },
  {
   "model": "orb_v3",
   "proxy": "cfse_do",
   "spearman_rho": -0.872,
   "p_value": 0.054
  },
  {
   "model": "orb_v3",
   "proxy": "neg_cfse",
   "spearman_rho": 0.872,
   "p_value": 0.054
  },
  {
   "model": "orb_v3",
   "proxy": "r_tet",
   "spearman_rho": 0.8,
   "p_value": 0.104
  },
  {
   "model": "orb_v3",
   "proxy": "r_oct",
   "spearman_rho": 0.6,
   "p_value": 0.285
  },
  {
   "model": "orb_v3",
   "proxy": "X_pauling",
   "spearman_rho": -0.8,
   "p_value": 0.104
  },
  {
   "model": "orb_v3",
   "proxy": "d_count",
   "spearman_rho": 0.0,
   "p_value": 1.0
  }
 ],
 "leave_one_out": [
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   "model": "orb_v3",
   "dropped": "ZnFe2O4",
   "proxy": "cfse_do",
   "spearman_rho": -0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "ZnFe2O4",
   "proxy": "neg_cfse",
   "spearman_rho": 0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "ZnFe2O4",
   "proxy": "r_tet",
   "spearman_rho": 0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "ZnFe2O4",
   "proxy": "r_oct",
   "spearman_rho": 0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "ZnFe2O4",
   "proxy": "X_pauling",
   "spearman_rho": -0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "ZnFe2O4",
   "proxy": "d_count",
   "spearman_rho": -1.0,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "MnFe2O4",
   "proxy": "cfse_do",
   "spearman_rho": -0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "MnFe2O4",
   "proxy": "neg_cfse",
   "spearman_rho": 0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "MnFe2O4",
   "proxy": "r_tet",
   "spearman_rho": 0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "MnFe2O4",
   "proxy": "r_oct",
   "spearman_rho": 0.6,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "MnFe2O4",
   "proxy": "X_pauling",
   "spearman_rho": -0.8,
   "n": 4
  },
  {
   "model": "orb_v3",
   "dropped": "MnFe2O4",
   "proxy": "d_count",
   "spearman_rho": 0.2,
   "n": 4
  }
 ],
 "shannon_radii_fetched_segments": {
  "Iron": "Iron +2 4 high spin 63 pm high spin and square planer 64 pm 6 low spin 61 pm high spin 78.0 pm 8 high spin 92 pm +3 4 high spin 49 pm 5 58 pm 6 low spin 55 pm high spin 64.5 pm 8 high spin 78 pm +4 6 58.5 pm +6 4 25 pm Lanthanum +3 6 103.2 pm 7 110 pm 8 116.0 ",
  "Magnesium": "Magnesium +2 4 57 pm 5 66 pm 6 72.0 pm 8 89 pm Manganese +2 4 high spin 66 pm 5 high spin 75 pm 6 low spin 67 pm high spin 83.0 pm 7 high spin 90 pm 8 96 pm +3 5 58 pm 6 low spin 58 pm high spin 64.5 pm +4 4 39 pm 6 53.0 pm +5 4 33 pm +6 4 25.5 pm +7 4 25 pm 6",
  "Manganese": "Manganese +2 4 high spin 66 pm 5 high spin 75 pm 6 low spin 67 pm high spin 83.0 pm 7 high spin 90 pm 8 96 pm +3 5 58 pm 6 low spin 58 pm high spin 64.5 pm +4 4 39 pm 6 53.0 pm +5 4 33 pm +6 4 25.5 pm +7 4 25 pm 6 46 pm Mercury +1 3 97 pm 6 119 pm +2 2 69 pm 4",
  "Nickel": "Nickel +2 4 55 pm square planer 49 pm 5 63 pm 6 69.0 pm +3 6 low spin 56 pm high spin 60 pm +4 6 low spin 48 pm Niobium +3 6 72 pm +4 6 68 pm 8 79 pm +5 4 48 pm 6 64 pm 7 69 pm 8 74 pm Nitrogen -3 4 146 pm +3 6 16 pm +5 3 -10.4 pm 6 13 pm Osmium +4 6 63.0 pm +",
  "Zinc": "Zinc +2 4 60 pm 5 68 pm 6 74.0 pm 8 90 pm Zirconium +4 4 59 pm 5 66 pm 6 72 pm 7 78 pm 8 84 pm 9 89 pm References (Click the next to a value above to see complete citation information for that entry) Dronskowski, Richard. Computational Chemistry of Solid State",
  "Cobalt_Copper_Aluminum_page1": "Cobalt +2 4 high spin 58 pm 5 67 pm 6 low spin 65 pm high spin 74.5 pm ... Copper +2 4 57 pm square planer 57 pm 5 65 pm 6 73 pm ... Aluminum +3 4 39 pm 5 48 pm 6 53.5 pm"
 },
 "model_ranks": {
  "inverse_to_normal_order": {
   "chgnet": [
    "NiFe2O4",
    "MnFe2O4",
    "CoFe2O4",
    "CuFe2O4",
    "ZnFe2O4"
   ],
   "mace_small": [
    "NiFe2O4",
    "MnFe2O4",
    "CoFe2O4",
    "CuFe2O4",
    "ZnFe2O4"
   ],
   "mace_medium": [
    "NiFe2O4",
    "MnFe2O4",
    "CoFe2O4",
    "CuFe2O4",
    "ZnFe2O4"
   ],
   "orb_v3": [
    "CuFe2O4",
    "NiFe2O4",
    "CoFe2O4",
    "MnFe2O4",
    "ZnFe2O4"
   ],
   "experiment_x_exp": [
    "NiFe2O4",
    "CoFe2O4",
    "CuFe2O4",
    "MnFe2O4",
    "ZnFe2O4"
   ]
  },
  "spearman_dE_vs_x_exp": {
   "chgnet": -0.7,
   "mace_small": -0.7,
   "mace_medium": -0.7,
   "orb_v3": -0.7,
   "p_value": 0.19
  },
  "pairwise_model_spearman": {
   "chgnet~mace_small": 1.0,
   "chgnet~mace_medium": 1.0,
   "mace_small~mace_medium": 1.0,
   "chgnet~orb_v3": 0.3,
   "mace_small~orb_v3": 0.3,
   "mace_medium~orb_v3": 0.3
  }
 }
}
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a0db75-97a7-7156-8ba2-bbcee0e208fe.json?v=1790388312404
- Over Ouro MCP: `download_asset(id="b9c9cb7b-4b77-4b2d-aefc-d758679af96a")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="b9c9cb7b-4b77-4b2d-aefc-d758679af96a")`, then pass it as `input_assets={"file": "b9c9cb7b-4b77-4b2d-aefc-d758679af96a"}`.
- From Python: `ouro.files.retrieve("b9c9cb7b-4b77-4b2d-aefc-d758679af96a")`