Fe8Ni2Si2N2 (requested SG: P4mm #99, calculated SG: Pmm2 #25, optimized: 80 steps, cell relaxed (isotropic))
Phase diagram of MnFe3SiP; e_above_hull: 0.311323 eV/atom; predicted_stable: False
Fe9Mn3Si3P3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 224 steps, cell relaxed (isotropic))
Phase diagram of Fe4NiBP; e_above_hull: 0.243629 eV/atom; predicted_stable: False
Fe8Ni2P2B2 (requested space group: P4mm #99, optimized: 67 steps, cell relaxed (isotropic))
Phase diagram of TiMnFe5B; e_above_hull: 0.176718 eV/atom; predicted_stable: False
Fe10Mn2Ti2B2 (requested SG: P63/mmc #194, calculated SG: P1 #1, optimized: 174 steps, cell relaxed (isotropic))
Phase diagram of Fe3SiNiB; e_above_hull: 0.246720 eV/atom; predicted_stable: False
Fe9Ni3Si3B3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 169 steps, cell relaxed (isotropic))
Phase diagram of VFe4SiN; e_above_hull: 0.897164 eV/atom; predicted_stable: False
Fe8V2Si2N2 (requested SG: P4mm #99, calculated SG: Cm #8, optimized: 120 steps, cell relaxed (isotropic))
Phase diagram of MnFe5SiN; e_above_hull: 1.189315 eV/atom; predicted_stable: False
Fe10Mn2Si2N2 (requested SG: P63/mmc #194, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of MnFe3SiB; e_above_hull: 0.228604 eV/atom; predicted_stable: False
Fe9Mn3Si3B3 (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 201 steps, cell relaxed (isotropic))
Phase diagram of MnFe3SiB; e_above_hull: 0.199959 eV/atom; predicted_stable: False
Fe9Mn3Si3B3 (requested SG: P4mm #99, calculated SG: Cm #8, optimized: 180 steps, cell relaxed (isotropic))
Phase diagram of MnFe3SiB; e_above_hull: 0.249214 eV/atom; predicted_stable: False
Fe9Mn3Si3B3 (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 193 steps, cell relaxed (isotropic))
Phase diagram of TiMnFe3B; e_above_hull: 0.242206 eV/atom; predicted_stable: False
Automated run summary with structure, phase diagram, and insights.
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -717.1657 eV; ΔE = -291.4014 eV; symmetry: Pban → P1
Sometime soon (Late summer / fall '25) I want to host a hackathon-type event for the technical creators in Chicago. I just moved back here and have already met some amazing builders. But the community
I got rid of the collected feed recently. Instead of seeing all of the content from your teams together, you now have to choose a team to see the feed of content. To make catching up easier, I added u
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data exploration and analysis of large scale mined data set of thermoelectric materials from publications
Interactive trajectory explorer with MatterViz
Welcome
Interactive browser visualizations for materials science, by @janosh
A double pendulum is just two pendulums attached end-to-end — but this simple setup hides a treasure chest of chaotic motion.
The pendulum is one of physics' most elegant systems—a simple weight suspended from a pivot that reveals profound truths about oscillation, energy, and time itself. From Galileo's first observations t
Quantum Physics' Most Beautiful Mystery
I'm going to start sharing some interactive / animated standalone mini-apps in HTML like we saw in the GPT 5 release demo of the Bernoulli Principle. I'm starting to get excited by the possibilities t
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Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1
Relax a crystal structure and create a post
Today I spent some time looking more closely at Mn-Fe-Si as a chemistry possibly worth exploring. I came to it by alternative means, though I don't really know if we'll find anything worthwhile. I gen
Get a detailed description of a crystal structure
Generate CIF file from crystal structure description
Cm space group PyXtal outputs
Most tutorials you find out there will show just atom position optimization. Depending on where you got your input CIF, this is likely wrong. Let's look at an example from my new crystal generation AP
Generate a crystal structure using GGen
Root
Get space groups compatible with a given chemical formula
Random bulk crystal generation with PyXtal and Orb v3
Findings from the first pass at tree searching
Relax a crystal structure with animation
This interstitial doping implementation offers researchers a systematic, reproducible approach to generating initial doped structures.
Create interstitially doped structure
From first principles, the design of a permanent magnet revolves around three core requirements derived from quantum mechanics and solid-state physics: (1) high saturation magnetization (), which aris
Generate a crystal structure with MatterGen
Generate a crystal structure with Chemeleon
If you're working with Ouro from the Python SDK, please update your package to the latest version. I just added a flag that tracks where an asset is made from (web or API) so you can sort through your
UPDATE: Resolved, all systems normal. ⚠️ Ehull endpoint is currently down
Dataset powering the material cost calculator. Lists element's USD/kg and when the data was last updated and where it came from.
Calculate the estimated raw material cost per kg
Generate crystal structures with magnetic density and HHI score conditioning
Analyze Structure
Calculate Thermochemistry
List Supported Formats
Forecasts for Bitcoin Price with 12-period horizon
Forecasts for Oil Price with 12-period horizon
Forecasts for Gold Price with 12-period horizon
Forecasts for Gold Price with 52-period horizon
Forecasts for Bitcoin Price with 52-period horizon
This dataset has a set of 34,000 ferro/ferrimagnetic materials from Materials Project, their formula, if they include rare earth elements, magnetic moment, volume, magnetic density, a predicted Curie temperature, and cosine distances to some known permanent magnets like NdFeB. Distances are based on a 256 dimension embedding from Orb v2 latent space.
Forecasts for Gold Price with 52-period horizon
Forecasts for Copper Price with 52-period horizon
Observed and forecasted housing market data for April 2025. Includes monthly data and forecasts projecting 12 months into the future.
A collection of 5020 magnetic materials from Materials Project, with estimated magnetic density and predicted Curie temperatures.
Forecasted fred-cbbtcusd-festive-ride from 2025-04-12 to 2025-12-30
Dataset CBBTCUSD downloaded from fred: 2020-01-01 to present
Dataset BTC-USD downloaded from yfinance: 2020-01-01 to present
Dataset BTC-USD downloaded from yfinance: 2020-01-01 to present
Forecasted fred-cbbtcusd-tender-shirley from 2025-04-09 to 2025-12-30
Dataset CBBTCUSD downloaded from fred: 2020-01-01 to present
Dataset BTC-USD downloaded from yfinance: 2020-01-01 to present
Dataset BTC-USD downloaded from yfinance: 2020-01-01 to present
Dataset BTC-USD downloaded from yfinance: 2020-01-01 to present