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Dielectric Function

Look up and interactively plot the MBJ dielectric function ε(ω) for any JARVIS-DFT material. Returns real and imaginary parts of the dielectric tensor (xx, yy, zz components) plus computed averages. Data fetched via Webpage.get_dft_mbj_dielectric_function().

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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 — MBJ dielectric function via jarvis.db.webpages.Webpage.get_dft_mbj_dielectric_function().

Endpoints

POST /dielectric_function/search — Search materials

curl -X POST "https://atomgpt.org/dielectric_function/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/dielectric_function/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
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 MBJ band gap (eV)
bandgap_max float null Max MBJ band gap (eV)

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

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

Fetch MBJ dielectric function ε(ω) for a single material. Returns energy axis, real/imaginary xx/yy/zz components, and computed averages.

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

Response:

{
  "jid": "JVASP-1002",
  "formula": "Si",
  "energies": [0.0, 0.1, 0.2, ...],
  "components": {
    "imag_xx": [...], "imag_yy": [...], "imag_zz": [...],
    "real_xx": [...], "real_yy": [...], "real_zz": [...],
    "imag_avg": [...], "real_avg": [...]
  }
}

8 components: imag_xx/yy/zz, real_xx/yy/zz, plus computed imag_avg and real_avg (arithmetic mean of xx/yy/zz).

Python Examples

import requests

response = requests.post(
    "https://atomgpt.org/dielectric_function/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/dielectric_function/data/JVASP-1002",
    headers={"Authorization": "Bearer sk-XYZ"},
)
data = response.json()
print(f"{data['formula']} — {len(data['energies'])} energy points")
print(f"Components: {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 dielectric function for Silicon")
print(response)

References