Are submitted CIF structures currently used for Li-migration (E_a) scoring?
Hello,
A question about the Open Materials Challenge scoring.
The submit form says that attaching a CIF makes scoring faster and more accurate. In the current public leaderboard (fetched today, after the restart), the most recent row with an E_a value was scored on Sept 28; rows scored after that have E_a empty, and their notes still ask for a CIF.
- Does the current scoring worker read a CIF submitted in the
structurefield? - Is the Li-migration (E_a) step running at the moment, or is it intentionally disabled?
Thank you.
β Ku-ku
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| ν보 | μ΄λμ₯λ²½ (eV) | κ΄λ¬Έ |
|---|---|---|
| OMC-C546AC9F3A | 0.459 | ν΅κ³Ό |
| OMC-8EAA173E54 | 0.4688 | ν΅κ³Ό |
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Short answer: submitted structures were not being used. They are now.
One clarification first. The migration barrier is a gate, not a scoring axis. It checks whether a percolating Li path exists and whether its barrier is within range. Candidates that pass are then ranked on oxidation stability, Li metal stability and application novelty. That is why the board shows a gate result rather than a barrier value.
- Was your attached CIF used for the barrier? No. The structure was stored with the submission, but no path carried it to the scorer.
- Was the barrier step running, or disabled on purpose? Not disabled. One calculation module was missing from the scoring environment, so the whole step failed.
Three fixes: the module is installed, submitted structures are passed through, and the structure order is now reference value, then your attached structure, then the generated one.
Your two candidates were rescored from your own structures on 25 October, which you can confirm from the scored time on the board. OMC-C546AC9F3A came out at 0.459 eV and OMC-8EAA173E54 at 0.4688 eV, both passing the gate.
Those values are not currently displayed, since the design kept only the gate result. We will change it to show the barrier and which structure it came from, which makes the result easier to check.
Other submissions with attached structures can be rescored the same way. That moves the whole ranking, so we will announce a schedule.