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Electronic DOS

Visualize and compare the electronic density of states from JARVIS-DFT. Spin-resolved up/down channels with total DOS. Search materials by formula, elements, space group, or band gap range, then fetch DOS spectra from JARVIS XML pages via Webpage.get_dft_electron_dos().

Open App

Overview

Search materials by formula, JARVIS ID, elements, space group, or property ranges. Click any result to fetch and plot the full spectrum. All search results are capped at 500 entries.

Data Source

JARVIS-DFT — electronic DOS fetched via jarvis.db.webpages.Webpage.get_dft_electron_dos().

Endpoints

POST /electronic_dos/search — Search materials

curl -X POST "https://atomgpt.org/electronic_dos/search" \
  -H "Authorization: Bearer sk-XYZ" \
  -H "Content-Type: application/json" \
  -H "accept: application/json" \
  -d '{
    "formula": "Si"
  }'

Search with elements:

curl -X POST "https://atomgpt.org/electronic_dos/search" \
  -H "Authorization: Bearer sk-XYZ" \
  -H "Content-Type: application/json" \
  -H "accept: application/json" \
  -d '{
    "elements": ["Ti", "O"],
    "element_mode": "all"
  }'
Field Type Default Description
formula string null Chemical formula (auto-reduced)
jid string null Exact JARVIS ID
elements list[string] null Element symbols
element_mode string "any" "any", "all", or "exact"
bandgap_min float null Min OptB88vdW band gap (eV)
bandgap_max float null Max OptB88vdW band gap (eV)
spacegroup string null Space group substring

Response fields: jid, formula, spacegroup, optb88vdw_bandgap, mbj_bandgap, magmom.

GET /electronic_dos/data/{jid} — Fetch spectrum data

Fetch electronic DOS spectrum for a single material. Returns energy axis and spin-resolved DOS channels.

curl "https://atomgpt.org/electronic_dos/data/JVASP-1002" \
  -H "Authorization: Bearer sk-XYZ" \
  -H "accept: application/json"

Response:

{
  "jid": "JVASP-1002",
  "formula": "Si",
  "bandgap": 0.611,
  "energies": [-10.0, -9.99, ...],
  "components": {
    "Spin Up": [0.0, 0.01, ...],
    "Spin Down": [0.0, 0.01, ...],
    "Total": [0.0, 0.02, ...]
  }
}

DOS channels auto-detected from keys like total_edos_up/total_edos_down. Total computed from spin components if not present. Energy axis searched across keys: energies, energy, edos_energies.

Python Examples

import requests

response = requests.post(
    "https://atomgpt.org/electronic_dos/search",
    headers={
        "Authorization": "Bearer sk-XYZ",
        "accept": "application/json",
        "Content-Type": "application/json",
    },
    json={"formula": "Si"},
)
data = response.json()
print(f"Found {data['total']} materials")
for m in data["results"][:5]:
    print(f"  {m['jid']}: {m['formula']}")

import requests

response = requests.get(
    "https://atomgpt.org/electronic_dos/data/JVASP-1002",
    headers={"Authorization": "Bearer sk-XYZ"},
)
data = response.json()
print(f"{data['formula']} — {len(data['energies'])} energy points")
print(f"Channels: {list(data['components'].keys())}")

AGAPI Agent

from agapi.agents import AGAPIAgent
import os

agent = AGAPIAgent(api_key=os.environ.get("AGAPI_KEY"))
response = agent.query_sync("Show electronic dos for Silicon")
print(response)

References