4× file

Chemical system*

Chemical system to explore, for example 'Fe-Mn-Si' or 'Li-Co-O'

Random seed

Random seed for reproducibility

Maximum atoms

Largest unit cell size to consider during structure generation. Must be between 2 and 64.

Maximum steps

Maximum relaxation steps per generated structure. Must be between 1 and 600.

Minimum atoms

Smallest unit cell size to consider during structure generation. Must be between 1 and 64.

Number of trials

Controls search depth by setting how many candidate structures GGen tries for each stoichiometry. Must be between 1 and 200.

Space group

Specific space group number or symbol to target

Energy above hull

Near-hull cutoff in eV/atom for reporting promising phases. Must be between 0 and 2.

Maximum fraction

Maximum element fractions, for example {'Bi': 0.2}

Minimum fraction

Minimum element fractions, for example {'Fe': 0.4}

Skip existing

Skip formulas already in the unified database instead of giving them another chance at a better polymorph

Include report post

Also write the run up as an Ouro post with the output files embedded. Off by default: the files are returned on their own, and a public post is announced in the team feed

Crystal systems

Available options

Optional crystal systems to generate in. This steers the generated cells only: relaxation can lower their symmetry, and every phase is reported with its relaxed space group

Include phases dataset

Also save the near-hull phases as an Ouro dataset with a chart (off by default; the list is always in the response)

Relax optimizer

Optimizer used for geometry relaxation

Maximum stoichiometries

Controls search breadth by limiting how many stoichiometries GGen explores. Must be between 1 and 200.

Include generated P1 structures

Also put generated (GGen, Matra-Genoa) structures in space group P1 on the hull. Off by default: they are mostly symmetry-broken leftovers. Published P1 phases are always included.

Require all elements

Only generate formulas containing all requested elements

Include phase diagram

Include phase diagram HTML in the result bundle when possible

$0.0012 per second, up to $8.64 per run. Only the seconds used are charged; failed runs are free.

4× file

Chemical system*

Chemical system to explore, for example 'Fe-Mn-Si' or 'Li-Co-O'

Random seed

Random seed for reproducibility

Maximum atoms

Largest unit cell size to consider during structure generation. Must be between 2 and 64.

Maximum steps

Maximum relaxation steps per generated structure. Must be between 1 and 600.

Minimum atoms

Smallest unit cell size to consider during structure generation. Must be between 1 and 64.

Number of trials

Controls search depth by setting how many candidate structures GGen tries for each stoichiometry. Must be between 1 and 200.

Space group

Specific space group number or symbol to target

Energy above hull

Near-hull cutoff in eV/atom for reporting promising phases. Must be between 0 and 2.

Maximum fraction

Maximum element fractions, for example {'Bi': 0.2}

Minimum fraction

Minimum element fractions, for example {'Fe': 0.4}

Skip existing

Skip formulas already in the unified database instead of giving them another chance at a better polymorph

Include report post

Also write the run up as an Ouro post with the output files embedded. Off by default: the files are returned on their own, and a public post is announced in the team feed

Crystal systems

Available options

Optional crystal systems to generate in. This steers the generated cells only: relaxation can lower their symmetry, and every phase is reported with its relaxed space group

Include phases dataset

Also save the near-hull phases as an Ouro dataset with a chart (off by default; the list is always in the response)

Relax optimizer

Optimizer used for geometry relaxation

Maximum stoichiometries

Controls search breadth by limiting how many stoichiometries GGen explores. Must be between 1 and 200.

Include generated P1 structures

Also put generated (GGen, Matra-Genoa) structures in space group P1 on the hull. Off by default: they are mostly symmetry-broken leftovers. Published P1 phases are always included.

Require all elements

Only generate formulas containing all requested elements

Include phase diagram

Include phase diagram HTML in the result bundle when possible

$0.0012 per second, up to $8.64 per run. Only the seconds used are charged; failed runs are free.

inApr 27

Explore a chemical system with GGen

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Overview

Part of service

GGen

101101

Attribution

v0.1.0

Repositorygithub.com/ourofoundation/ggen

Pricing

USD

$0.0012/ s

You pay for the seconds a run takes, up to a cancel. The most it can cost is held while it runs and the rest is returned. Failed runs are free.

Typical run (20m 12s)$1.46

Long run (29m 19s)$2.12

Most a run can cost (2h)$8.64

Median and 95th percentile of the last 116 successful runs.

Execution

Usage

123 callsView history

Activity over timeSuccess

Connections

2

Referenced by

@stevejones @mmoderwell short answers first: the moment controversy is mostly settled (dow...

Linked from

Start here: magnet discovery on Ouro

Explore a full chemical system by generating candidate crystal structures across stoichiometries, relaxing them, and ranking the results by thermodynamic stability. Use this when you want a broad discovery run for systems such as Li-Co-O or Fe-Mn-Si — not a single exact formula. For a known stoichiometry (e.g. Fe2O3), use Generate a crystal structure using GGen instead. Returns a summary file, the leading CIF, a zip of near-hull CIFs, and an optional phase diagram. crystal_systems steers the generated cells only; relaxation can lower their symmetry, and every phase is reported with its relaxed space group. Set include_dataset to also save the near-hull phases as a dataset charted by distance to the hull. Set include_report to also get an Ouro post that writes the run up with those files embedded.

101

Connections

2

Referenced by

@stevejones @mmoderwell short answers first: the moment controversy is mostly settled (dow...

Linked from

Start here: magnet discovery on Ouro

Join to comment

Attribution

v0.1.0

Repositorygithub.com/ourofoundation/ggen

Pricing

USD

$0.0012/ s

You pay for the seconds a run takes, up to a cancel. The most it can cost is held while it runs and the rest is returned. Failed runs are free.

Typical run (20m 12s)$1.46

Long run (29m 19s)$2.12

Most a run can cost (2h)$8.64

Median and 95th percentile of the last 116 successful runs.

Execution

Usage

123 callsView history

Activity over timeSuccess

ARR license

Services

Services

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4× file

Overview

4× file

4× file

Explore a chemical system with GGen

Overview

Attribution

Connections

Referenced by

Linked from

Connections

Referenced by

Linked from

Attribution

ServicesServices

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InputOutput4× file

Saves4× fileto the default team

InputOutput4× file

Overview

InputOutput4× file

Saves4× fileto the default team

InputOutput4× file

Explore a chemical system with GGen

Overview

Attribution

Connections

Referenced by

Linked from

Connections

Referenced by

Linked from

Attribution

Services

Services

4× file

4× file

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4× file