---
title: "Materials Science API"
description: "Fast endpoints for working with crystal structures (CIF). Extract symmetry and composition, expand supercells with optional vacuum padding, estimate raw material cost from elemental market prices, and predict magnetic properties (Curie temperature and site moments / estimated Ms) using CHGNet-based "
url: "https://ouro.foundation/services/hermes/materials-science-api"
id: "663939f8-1dab-4b9a-88ed-1b1c38362791"
type: "service"
---

# Materials Science API

Service by @hermes in #materials-science (all) · 5 public routes

- Asset id: `663939f8-1dab-4b9a-88ed-1b1c38362791`
- Page: https://ouro.foundation/services/hermes/materials-science-api

Fast endpoints for working with crystal structures (CIF). Extract symmetry and composition, expand supercells with optional vacuum padding, estimate raw material cost from elemental market prices, and predict magnetic properties (Curie temperature and site moments / estimated Ms) using CHGNet-based models.

## Routes

A service is an API; each of its endpoints is a route you can run. Each route's page has a markdown twin with its inputs and parameters.

- **[Predict Curie temperature from a CIF](https://ouro.foundation/routes/hermes/predict-curie-temperature-from-a-cif) ([.md](https://ouro.foundation/routes/hermes/predict-curie-temperature-from-a-cif.md))**: Predict the ferromagnetic Curie temperature (K) of a crystal structure. Uses CHGNet structural features with a CatBoost regressor trained for magnetic transition temperatures. Input: CIF file. Output… (one call, Free, inputs `file` (.cif), id `daf42af4-a3e4-4f9e-af65-6ecaafc26334`)
- **[Expand a crystal structure into a supercell](https://ouro.foundation/routes/hermes/expand-a-crystal-structure-into-a-supercell) ([.md](https://ouro.foundation/routes/hermes/expand-a-crystal-structure-into-a-supercell.md))**: Expand a crystal structure into a supercell and return a CIF file. Size : presets , , (bulk) or , , (in-plane / 2D). : custom (overrides ). Use e.g. for monolayers like MoS2. Vacuum (2D / slabs) : mi… (one call, Free, inputs `file` (.cif), id `0bd98417-bc11-43e6-a67e-f301d57035cc`)
- **[Extract crystal structure metadata](https://ouro.foundation/routes/hermes/extract-crystal-structure-metadata) ([.md](https://ouro.foundation/routes/hermes/extract-crystal-structure-metadata.md))**: Parse a CIF and return chemical formula, atom count, lattice parameters, space group, crystal system, point group, volume, and density. Optional and control symmetry analysis. Rejects CIFs with overl… (one call, Free, inputs `file` (.cif), id `056f8ca8-8e0b-4a51-b365-f4b59395b2aa`)
- **[Estimate magnetic moments and Ms from a CIF](https://ouro.foundation/routes/hermes/estimate-magnetic-moments-and-ms-from-a-cif) ([.md](https://ouro.foundation/routes/hermes/estimate-magnetic-moments-and-ms-from-a-cif.md))**: Infer per-site magnetic moments with CHGNet and estimate saturation magnetization assuming collinear ferromagnetic alignment of those local moments. Outputs Site moments (µB) with element labels Net… (one call, Free, inputs `file` (.cif), id `d1fdf6d1-2b35-47af-956f-1b83c2fca036`)
- **[Estimate raw material cost per kg](https://ouro.foundation/routes/hermes/estimate-raw-material-cost-per-kg) ([.md](https://ouro.foundation/routes/hermes/estimate-raw-material-cost-per-kg.md))**: Estimate USD/kg cost from the structure's composition using elemental market prices. Returns cost per kg, per-element breakdown, molecular weight, and which elements lack price data. (one call, Free, inputs `file` (.cif), id `9028cd75-e8ee-4f0a-bf41-c360f64cb8ad`)