Materials Project is an open database of computed materials properties aiming to accelerate materials science research. The resources in this OpenData dataset contain the raw, parsed, and build data products.

We utilized a dataset of Machine Design materials, which includes information on their mechanical properties. The dataset was obtained from the Autodesk Material Library and comprises 15 columns, also referred to as features/attributes. This dataset is a real-world dataset, and it does not contain any random values. However, due to missing values, we only utilized seven of these columns for our ML model. You can access the related GitHub Repository here: https://github.com/purushottamnawale/material-selection-using-machine-learning

To develop a ML model, we employed several Python libraries, including NumPy, pandas, scikit-learn, and graphviz, in addition to other technologies such as Weka, MS Excel, VS Code, Kaggle, Jupyter Notebook, and GitHub. We employed Weka software to swiftly visualize the data and comprehend the relationships between the features, without requiring any programming expertise.

My Problem statement is Material Selection for EV Chassis. So, if you have any specific ideas, be sure to implement them and add the codes on Kaggle.

A Detailed Research Paper is available on https://iopscience.iop.org/article/10.1088/1742-6596/2601/1/012014

The document contains the comprehensive ‘one-stop’ material properties database developed by the GEOLAB consortium for the typical soils and constitutive models used in the GEOLAB facilities. The said database was developed to support the use and re-use of the quality experimental data from the GEOLAB Transnational Access projects.

NIST has accumulated a valuable and comprehensive collection of thermal conductivity data from measurements performed with a 200-mm square guarded-hot-plate apparatus. The guarded-hot-plate test method is arguably the most accurate and popular method for determination of thermal transmission properties of flat, homogeneous specimens under steady state conditions. Several organizations, including ASTM and ISO, have standardized the method. Version 1.0 of the database includes data for over 2000 measurements, covering several categories of materials including concrete, fiberboard, plastics, thermal insulation, and rubber. The data cover a temperature range corresponding to most building applications; however, the majority of the measurements were conducted at 24° C (75° F). Web version 1.0

This database contains cryogenic material property data.

Mechanical, thermal, and physical properties of non-metallic engineering materials including ceramics, polymers, composites, glass, concrete, foam, refractory, stone, wood, and natural fibers

This repository contains two datasets for our recent work "Learning Properties of Ordered and Disordered Materials from Multi-fidelity Data". The first data set is a multi-fidelity band gap data for crystals, and the second data set is the molecular energy data set for molecules.1. Multi-fidelity band gap data for crystalsThe full band gap data used in the paper is located at band_gap_no_structs.gz. Users can use the following code to extract it. import gzipimport jsonwith gzip.open("band_gap_no_structs.gz", "rb") as f: data = json.loads(f.read())data is a dictionary with the following format{"pbe": {mp_id: PBE band gap, mp_id: PBE band gap, ...},"hse": {mp_id: HSE band gap, mp_id: HSE band gap, ...},"gllb-sc": {mp_id: GLLB-SC band gap, mp_id: GLLB-SC band gap, ...},"scan": {mp_id: SCAN band gap, mp_id: SCAN band gap, ...},"ordered_exp": {icsd_id: Exp band gap, icsd_id: Exp band gap, ...},"disordered_exp": {icsd_id: Exp band gap, icsd_id: Exp band gap, ...}}where mp_id is the Materials Project materials ID for the material, and icsd_id is the ICSD materials ID. For example, the PBE band gap of NaCl (mp-22862, band gap 5.003 eV) can be accessed by data['pbe']['mp-22862']. Note that the Materials Project database is evolving with time and it is possible that certain ID is removed in latest release and there may also be some band gap value change for the same material. To get the structure that corresponds to the specific material id in Materials Project, users can use the pymatgen REST API. 1.1. Register at Materials Project https://www.materialsproject.org and get an API key.1.2. In python, do the following to get the corresponding computational structure. from pymatgen import MPRester mpr = MPRester(#Your API Key) structure = mpr.get_structure_by_material_id(#mp_id)A dump of all the material ids and structures for 2019.04.01 MP version is provided here: https://ndownloader.figshare.com/files/15108200. Users can download the file and extract the material_id and structure from this file for all materials. The structure in this case is a cif file. Users can use again pymatgen to read the cif string and get the structure. from pymatgen.core import Structurestructure = Structure.from_str(#cif_string, fmt='cif')For the ICSD structures, the users are required to have commercial ICSD access. Hence the structures will not be provided here.2. Multi-fidelity molecular energy dataThe molecule_data.zip contains two datasets in json format. 2.1 G4MP2.json contains two fidelity G4MP2 (6095) and B3LYP (130831) calculations results on QM9 molecules {"G4MP2": {"U0": {ID: G4MP2 energy (eV), ...}, { "molecules": {ID: Pymatgen molecule dict, ...}},"B3LYP": {"U0": {ID: B3LYP energy (eV), ...} {"molecules": {ID: Pymatgen molecule dict, ...}}}2.2 qm7b.json contains the molecule energy calculation resultsi for 7211 molecules using HF, MP2 and CCSD(T) methods with 6-31g, sto-3g and cc-pvdz bases. {"molecules": {ID: Pymatgen molecule dict, ...},"targets": {ID: {"HF": {"sto3g": Atomization energy (kcal/mol), "631g": Atomization energy (kcal/mol), "cc-pvdz": Atomization energy (kcal/mol)}, "MP2": {"sto3g": Atomization energy (kcal/mol), "631g": Atomization energy (kcal/mol), "cc-pvdz": Atomization energy (kcal/mol)}, "CCSD(T)": {"sto3g": Atomization energy (kcal/mol), "631g": Atomization energy (kcal/mol), "cc-pvdz": Atomization energy (kcal/mol)}, ...}}}

Material properties data of Young's modulus and density of Gilsocarbon and NBG-18 data

The mission of the High Throughput Experimental Materials Database (HTEM DB) is to enable discovery of new materials with useful properties by releasing large amounts of high-quality experimental data to public. The HTEM DB contains information about materials obtained from high-throughput experiments at the National Renewable Energy Laboratory (NREL).

The database includes mechanical data for structure-properties relationships and mechanical modeling of elastic impact protection foams from a variety of imaging (micro-computed tomography, digital image correlation) and force-sensing instruments (dynamic mechanical analysis, universal test system) under a wide range of experimental conditions and modes. The data repository includes directories for: dynamic mechanical analysis raw data, results, and analysis tools; intermediate rate (servo-hydraulic UTS based) raw data including 2D digital image correlation (DIC) images, results, and analysis tools; quasi-static rate (electro-mechanical UTS based) raw data including 2D digital image correlation (DIC), results, and analysis tools; micro-computed tomography data including raw volume images, filtered images, binarized images, other results, and analysis tools; and, instrumented drop tower data including backface force, high speed video, and results and analyzed data, Fourier Transform Infrared (FTIR) spectra, and differential scanning calorimetry (DSC) data.For more information see the readme and data documentation in each respective directory. A paper describing data collection, analysis, and database documentation is available here: https://doi.org/10.1038/s41597-023-02092-4. A repository containing example usage code is available at: https://github.com/materials-data-facility/foam_db. File formats for data include .txt, .xls, .tri, .tprc, .rcp, .py, .m, .csv, .mat, .vtk, .spa, .exp, .stl, and .tif.

A comprehensive technical dataset providing ASTM mechanical, thermal, electrical, and physical property values for industrial plastics.

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can be observed when looking at properties sensitive to framework vibrational modes. This observation is more pronounced upon the introduction of framework charges.

CHIPS-FF (Computational High-Performance Infrastructure for Predictive Simulation-based Force Fields) is a universal, open-source benchmarking platform for machine learning force fields (MLFFs). This platform provides robust evaluation beyond conventional metrics such as energy, focusing on complex properties including elastic constants, phonon spectra, defect formation energies, surface energies, and interfacial and amorphous phase properties. Utilizing 16 graph-based MLFF models including ALIGNN-FF, CHGNet, MatGL, MACE, SevenNet, ORB and OMat24, the CHIPS-FF workflow integrates the Atomic Simulation Environment (ASE) with JARVIS-Tools to facilitate automated high-throughput simulations. Our framework is tested on a set of 104 materials, including metals, semiconductors and insulators representative of those used in semiconductor components, with each MLFF evaluated for convergence, accuracy, and computational cost. Additionally, we evaluate the force-prediction accuracy of these models for close to 2 million atomic structures. By offering a streamlined, flexible benchmarking infrastructure, CHIPS-FF aims to guide the development and deployment of MLFFs for real-world semiconductor applications, bridging the gap between quantum mechanical simulations and large-scale device modeling.Enter description here...

Battery materials database comprising chemical and property data whereby there are up to five properties per chemical: capacity, conductivity, voltage, energy Coulombic efficiency.The data are given in the .zip file.The data extraction code used to generate them are given in the batterydatabaseextractioncode .zip file.The Battery Database GUI Installer is given as an executable.

Dataset accompanying the publication 'M. Cermak, N. Perez, and M. Bahrami, 'Material properties and structure of natural graphite sheet', Science and Technology of Advanced Materials, 2020'.

The dataset contains the raw data related to the measurements of material properties, implementation of data processing in Matlab and Microsoft Excel, and microscope images of the material structure.

MADB is a bibliographic database on physico-chemical properties of selected Minor Actinide compounds and alloys. The materials and properties are selected based on their importance in the advanced nuclear fuel cycle options. This list is updated up to 2008.

A complete copy of the Materials Project database as of 10/18/2018. Mp_all files contain structure data for each material while mp_nostruct does not.Available as Monty Encoder encoded JSON and as CSV. Recommended access method for these particular files is with the matminer Python package using the datasets module. Access to the current Materials Project is recommended through their API (good), pymatgen (better), or matminer (best).Note on citations: If you found this dataset useful and would like to cite it in your work, please be sure to cite its original sources below rather than or in addition to this page.Dataset discussed in:A. Jain*, S.P. Ong*, G. Hautier, W. Chen, W.D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, K.A. Persson (*=equal contributions) The Materials Project: A materials genome approach to accelerating materials innovation APL Materials, 2013, 1(1), 011002.Dataset sourced from:https://materialsproject.org/Citations for specific material properties available here:https://materialsproject.org/citing

Fiber-reinforced polymer composite lamina (ply-level) mechanical properties per MIL-HDBK-17 and CMH-17. Covers unidirectional tape and balanced fabric systems: carbon/epoxy (AS4, T300, IM7, IM6), glass/epoxy (E-glass, S2-glass), aramid/epoxy (Kevlar-49), and PEEK thermoplastic. Properties are for a single ply used in classical lamination theory.

The supplementary material contains detailed information on sample fabrication and characterization methods; tables that summarize the dependence of films properties on annealing conditions; additional figures of transport analysis of annealed germanide or germanosilicide films; the dependence of transport properties of strained Ge quantum wells on annealing conditions; and the methods for the analysis of IrGe lattice constants and microcrystal sizes.

The database includes mechanical data for structure-properties relationships and mechanical modeling of elastic impact protection foams from a variety of imaging (micro-computed tomography, digital image correlation) and force-sensing instruments (dynamic mechanical analysis, universal test system) under a wide range of experimental conditions and modes. The data repository includes directories for: dynamic mechanical analysis raw data, results, and analysis tools; intermediate rate (servo-hydraulic UTS based) raw data including 2D digital image correlation (DIC) images, results, and analysis tools; quasi-static rate (electro-mechanical UTS based) raw data including 2D digital image correlation (DIC), results, and analysis tools; micro-computed tomography data including raw volume images, filtered images, binarized images, other results, and analysis tools; and, instrumented drop tower data including backface force, high speed video, and results and analyzed data, Fourier Transform Infrared (FTIR) spectra, and differential scanning calorimetry (DSC) data.For more information see the readme and data documentation in each respective directory. A paper describing data collection, analysis, and database documentation is available here: https://doi.org/10.1038/s41597-023-02092-4. A repository containing example usage code is available at: https://github.com/materials-data-facility/foam_db. File formats for data include .txt, .xls, .tri, .tprc, .rcp, .py, .m, .csv, .mat, .vtk, .spa, .exp, .stl, and .tif.