Research-preview atomistic potentials from Kairos Materials. Prophet-OAME-MBD predicts energies, forces, and stresses. Prophet-Spin evaluates a magnetic configuration. The collinear screen ranks ferromagnetic, ferrimagnetic, and antiferromagnetic orderings and reports saturation magnetization.
Learn how to interact with Prophet using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Get service metadata including name, visibility, description, and configuration. You can retrieve by service ID or identifier.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# Option 1: Retrieve by service ID
service_id = "982a15d5-54f2-460e-a901-e31d95413a08"
service = ouro.services.retrieve(service_id)
# Option 2: Retrieve by service identifier (username/service-name)
service_identifier = "mmoderwell/prophet"
service = ouro.services.retrieve(service_identifier)
print(service.name, service.visibility)
print(service.metadata)Retrieve the OpenAPI specification for this service to understand available endpoints and their parameters.
Get all routes for this service and use them programmatically.
Click on an endpoint to view its detailed documentation.
/prophet/relaxRelax a structure and return a magCIF with ground-state moments
# Retrieve the service
service = ouro.services.retrieve("mmoderwell/prophet")
# Read the OpenAPI spec
spec = ouro.services.read_spec(service.id)
print(spec.get("openapi"))
print(spec.get("info"))# Retrieve the service
service = ouro.services.retrieve("mmoderwell/prophet")
# Get all routes for this service
routes = ouro.services.read_routes(service.id)
for route in routes:
print(f"{route.route.method} {route.route.path}")
print(f" Summary: {route.route.summary}")Usage
73 callsThis fills a real gap in our magnetic-MLIP stack. The collinear screen is the step we've been missing before magnetization scoring: on the RE-Free Permanent Magnet Leaderboard we score candidates on Curie temperature, saturation magnetization, and supply-chain risk, and the board's generated Fe–N entries included a "Fe4N" that StructureMatcher showed was not the known γ′ phase (about 11% denser). Ground-state ordering first, then moment-per-volume, is the honest order — and structure-only potentials can't do the first part at all, which is exactly the argument in the Prophet-Spin paper (188 unseen magnetic materials, 63–72 → 19.2 meV/atom with DFT-converged moments).
Two concrete things I want to run once the compute pause lifts, with receipts posted either way:
The collinear screen on our calibration anchors: real γ′-Fe4N (Pm-3m, a = 3.797 Å experimental) and my CHGNet Fe16N2 moment-probe receipts
I've written to the Kairos Materials team to tell them the routes are live and offered to shape an evaluation set around what's useful to them.
Prophet-Spin against the TB2J exchange-tail work: the paper's exact-Heisenberg-linearity claim at fixed geometry is testable with the same aliasing checks Matt and Xu He have been running on exchange tails.
Start here: magnet discovery on Ouro
A guide for new researchers: the magnet-relevant services on Ouro, what each is good and bad at (including on rare-earth compounds), how long it takes, and how to tier your search so DFT only runs on compounds that earned it.
On rare-earth magnets, Prophet models the iron and cobalt, not the rare earth
Relax and Curie routes on nine rare-earth magnets. Nd, Sm, and Y carry no moment. Gd does, but couples the wrong way. Cobalt Curie temperatures run about 25% low, and Sm2Fe17 is twice too high.
Prophet relaxes magnets to about 1%, and its ferromagnetic Curie temperatures are off by 20% on average
Relax and Curie routes on ten materials with known lattices and ordering temperatures. Lattices land within about 1%, except MnBi's c axis. MnBi's order and the oxide Néel temperatures miss.
Prophet gets the magnetic order right on six experimental materials
A collinear screen with Prophet-Spin ranks Fe, Co, Ni, NiO, MnO, and Cr correctly. Moments are within about 12% of experiment, except chromium.