Description for Materials Project .csv files

[sgbaird]

Hi Tian,

Trying to figure out what each of the mp-ids-*.csv files correspond to.

After removing ill-converged crystals, the full database has 46744 materials covering 87 elements, 7 lattice systems, and 216 space groups.
The database [34] we use includes the energy above hull of 18928 perovskite crystals
Figures 2(b) and 2(c) show the performance of the two models on 9350 test crystals

Table 1 has # train data with values of 28046, 16458, and 2041.

So "46744" seems pretty straightforward mp-ids-46744.csv

But what do mp-ids-3402.csv and mp-ids-27430.csv correspond to in the paper?

Thanks!

Sterling

[txie-93]

Hi Sterling,

They are for table 1. Different properties have different number of data points. The numbers should match the ones in Table 1.

[sgbaird]

Gotcha. From what I can tell the numbers don't match exactly. But for now I'm just going to be using the 46744 set. Thanks for all the help!

[txie-93]

Opps, forgot to mention that the numbers listed in Table 1 are the training data sizes. Here the numbers are the total data sizes. I used 60% as training data. They should match after multiplying 60%.

[sgbaird]

Ah, perfect! Thank you!