API reference

Agent-oriented entry points (no interactive UI required):

Resource	URL path
LLM recipes (plain text)	llms.txt
Calibrated API tables	API quick reference
Human tutorials	physical features · statistics · OLED

Imports

from cifkit import Cif, CifEnsemble, Example
from cifkit.sources.oliynyk import Oliynyk, Property  # OLED
from cifkit.parsers.formula import Formula
from cifkit.sorters.element_sorter import ElementSorter

OLED = Oliynyk elemental data (composition / ML). Not a separate package. Demo paths: Example.GdSb_file_path, Example.demo_cif_folder_path.

Pages

Page	Import	Use it for
Quick reference	-	Full attribute/method tables for agents
Cif	from cifkit import Cif	One .cif: parse, distances, CN, polyhedra
CifEnsemble	from cifkit import CifEnsemble	Folder: stats, filters, histograms
Coordination	cifkit.coordination.*	Low-level CN / geometry helpers
Oliynyk / OLED	from cifkit.sources.oliynyk import Oliynyk, Property	Elemental property database
Formula	from cifkit.parsers.formula import Formula	Parse / normalize formulas
ElementSorter	from cifkit.sorters.element_sorter import ElementSorter	Sort elements by role / Mendeleev
Sources	cifkit.sources.*	Mendeleev numbers, ptable, radii

Naming rules for generated code

1. Use exact Property enum names (UNPARIED_E, not UNPAIRED_E).

2. unitcell_angles are radians.

3. Call compute_CN() before CN_* attributes unless compute_CN=True.

4. Do not invent top-level import oled / import oliynyk.