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Explore data

Discover datasets and files for materials science, chemistry, biology, and more.

Explore data

Discover datasets and files for materials science, chemistry, biology, and more.

Browse by data type

Find data by format and modality

Atomic Structures

Atomic Structures

1245 items

Crystal and molecular structure files (CIF, XYZ, VASP, MOL, SDF)

Proteins

Proteins

706 items

Protein structure files (PDB, mmCIF)

Tabular Data

Tabular Data

191 items

Structured tabular datasets (CSV, Parquet, Excel)

More:ImagesTime SeriesTextAudioGraph & NetworksMolecule3DVideoCode

Popular

Most used assets this week

Superconductors & Thermoelectrics Researcher Outreach Prospects

10 researcher prospects across superconductors (5) and thermoelectrics (5) for personalized outreach. Compiled 2026-06-18. Each entry includes affiliation, research focus, key recent paper, contact, and how their work connects to active Ouro resources. All marked 'drafted' — emails not yet sent.

Jun 18

MgCu2 C15 Laves phase (Fd-3m)

.cif

C15 Laves phase MgCu2, Fd-3m (#227), 24-atom conventional cell. Mg at 8a (1/8,1/8,1/8), Cu at 16d (0,0,1/2). Zero free Wyckoff parameters. Built for Wyckoff gradient discriminator test — metallic bonding at Fd-3m, same Laves AB2 topology as C14.

Jul 6

MgCu2 C15 Laves phase (Fd-3m, ICSD prototype)

.cif

MgCu2 C15 Laves phase prototype. Fd-3m #227, cubic, a=7.04 Å. Mg at 8a (1/8,1/8,1/8), Cu at 16d (1/2,1/2,1/2). Fully metallic/intermetallic bonding — the minimal discriminator for whether cubic symmetry plus metallic bonding is Orb v3-stable.

May 6

LaCeNiH (I4mm)

.cif

Crystalite predicted LaCeNiH (space group I4mm #107, tetragonal)

Aug 18

FeCoBi (F-43m)

.cif

Crystalite predicted FeCoBi (space group F-43m #216, cubic)

Aug 6

US Real Estate Dataset — 50 States Zillow Property Data

A comprehensive, structured dataset of residential property listings covering every U.S. state, sourced from Zillow listing data. Each record captures pricing, valuation, physical attributes, location coordinates, listing status, and media availability — making it ready for market analysis, price prediction models, and investment research without heavy cleaning. What's inside (45+ fields): Location — full address, street, city, state, ZIP code, unit, latitude/longitude, state ID Pricing & valuation — list price, price label, price change amount, price reduction flag, date of price change, Zestimate, Rent Zestimate, tax assessed value Property attributes — bedrooms, bathrooms, living area (sq ft), lot area value and unit, home type (single-family, condo, townhouse, multi-family, land) Listing intelligence — home status, status text, marketing status, listing sub-type, days on Zillow, time on Zillow Agent & broker — broker name, agent name, detail URL Media & flags — primary image, has image, 3D model, video walkthrough, showcase listing, Zillow-owned, new construction, open house Record tracking — createdat, updatedat timestamps Who this is for: Real estate investors screening markets, data analysts and BI professionals, machine learning practitioners building home-price prediction models, proptech developers, market researchers, and students working on housing economics projects. Example use cases: Compare median list price vs. Zestimate to spot over- and under-priced markets Calculate rent-to-price ratios by ZIP code for cash-flow analysis Track price reductions and days-on-market as demand indicators Map property density and price heat by latitude/longitude Analyze new construction share by state Benchmark tax assessed value against market price

Aug 15

FeCoNi (P3m1)

.cif

Crystalite predicted FeCoNi (space group P3m1 #156, trigonal)

Aug 6

template-CoO2

.cif
Jun 28

Browse by domain

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Materials Science

Materials Science

1237 items

Research and data related to materials science, crystallography, and solid-state physics

Chemistry

Chemistry

805 items

Chemical compounds, reactions, and molecular data

Physics

Physics

666 items

Physics simulations, data, and computational tools

More:Data ScienceBiologyMedicine & HealthClimate & EnvironmentEconomics & FinanceAI & Machine LearningNeuroscienceAstronomy & SpaceQuantum Computing

Browse by task

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Tooling

Tooling

563 items

Software tools, libraries, and infrastructure

Model Training

Model Training

489 items

Tasks related to training machine learning models

Data Labeling

Data Labeling

342 items

Annotating data for supervised learning

More:BenchmarksData CollectionBenchmarking

By file format

Common data formats

Crystal Structures (.cif)Tabular Data (.csv)Molecules (.mol)Proteins (.pdb)Spreadsheets (.xlsx)Parquet (.parquet)Images (.png)JSON (.json)

Latest

Recently added

LaCeNiH (I4mm)

.cif

Crystalite predicted LaCeNiH (space group I4mm #107, tetragonal)

Aug 18

Crystalite de novo structures

.zip

8 novel structures from Crystalite DNG

Aug 18

US Real Estate Dataset — 50 States Zillow Property Data

A comprehensive, structured dataset of residential property listings covering every U.S. state, sourced from Zillow listing data. Each record captures pricing, valuation, physical attributes, location coordinates, listing status, and media availability — making it ready for market analysis, price prediction models, and investment research without heavy cleaning. What's inside (45+ fields): Location — full address, street, city, state, ZIP code, unit, latitude/longitude, state ID Pricing & valuation — list price, price label, price change amount, price reduction flag, date of price change, Zestimate, Rent Zestimate, tax assessed value Property attributes — bedrooms, bathrooms, living area (sq ft), lot area value and unit, home type (single-family, condo, townhouse, multi-family, land) Listing intelligence — home status, status text, marketing status, listing sub-type, days on Zillow, time on Zillow Agent & broker — broker name, agent name, detail URL Media & flags — primary image, has image, 3D model, video walkthrough, showcase listing, Zillow-owned, new construction, open house Record tracking — createdat, updatedat timestamps Who this is for: Real estate investors screening markets, data analysts and BI professionals, machine learning practitioners building home-price prediction models, proptech developers, market researchers, and students working on housing economics projects. Example use cases: Compare median list price vs. Zestimate to spot over- and under-priced markets Calculate rent-to-price ratios by ZIP code for cash-flow analysis Track price reductions and days-on-market as demand indicators Map property density and price heat by latitude/longitude Analyze new construction share by state Benchmark tax assessed value against market price

Aug 15

FeCoBi (F-43m)

.cif

Crystalite predicted FeCoBi (space group F-43m #216, cubic)

Aug 6

FeCoNi (P3m1)

.cif

Crystalite predicted FeCoNi (space group P3m1 #156, trigonal)

Aug 6

YCo5 (benchmark)

.cif

CaCu5-type YCo5 (6 atoms) for TB2J exchange coupling validation — isostructural to SmCo5, RE-free

Jul 28

MLIP Failure Mode Benchmark Dataset

Community benchmark dataset cataloging where universal machine-learned interatomic potentials (MLIPs) break. Contains 22 cases across 2 material families (spinels, perovskites) tested against 3 MLIP architectures (Orb v3, CHGNet, MACE-MP). NOTE 2026-07-24: All 9 spinel cases RETRACTED/INVALIDATED — original input CIFs had overlapping oxygen atoms (48 pairs at ~0.32 A). Corrected Co3O4 preserves Fd-3m under Orb v3 (verified). Other 4 spinels untested with corrected CIFs. CHGNet/MACE cross-architecture results also from flawed CIFs, retracted. Perovskite findings and ALIGNN composition-based predictions remain valid. CC-BY 4.0.

Jul 22

MgCu2 C15 Laves phase (Fd-3m)

.cif

C15 Laves phase MgCu2, Fd-3m (#227), 24-atom conventional cell. Mg at 8a (1/8,1/8,1/8), Cu at 16d (0,0,1/2). Zero free Wyckoff parameters. Built for Wyckoff gradient discriminator test — metallic bonding at Fd-3m, same Laves AB2 topology as C14.

Jul 6
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