post

Chemical system*

Chemical system to report

Breakdown

Include stability breakdown

Space group

Filter by space group number or symbol

Stable only

Return stable and near-hull structures

Fully stable

Return structures on hull and dynamically stable

Energy cutoff

Energy above hull cutoff in eV/atom. Must be between 0 and 2.

Crystal system

Filter by crystal system

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)

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.

Include phase diagram

Include an interactive phase diagram in the report

post

Chemical system*

Chemical system to report

Breakdown

Include stability breakdown

Space group

Filter by space group number or symbol

Stable only

Return stable and near-hull structures

Fully stable

Return structures on hull and dynamically stable

Energy cutoff

Energy above hull cutoff in eV/atom. Must be between 0 and 2.

Crystal system

Filter by crystal system

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)

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.

Include phase diagram

Include an interactive phase diagram in the report

inApr 27

Generate a GGen system report

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GGen

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v0.1.0

Repositorygithub.com/ourofoundation/ggen

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Start here: magnet discovery on Ouro

Report the best structures known for a chemical system across the whole GGen database, published and generated alike. Where an exploration reports what a single run produced, this reports the current state of a system: its hull, how much of it comes from published data versus GGen, which phases are new, and CIFs for the leading candidates. Set include_dataset to also save the near-hull phases as a dataset charted by distance to the hull.

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Attribution

v0.1.0

Repositorygithub.com/ourofoundation/ggen

Execution

Usage

16 callsView history

Activity over timeSuccessFailure

ARR license

Connections

1

Linked from

Start here: magnet discovery on Ouro

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Generate a GGen system report

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Generate a GGen system report

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