crystal-lab-data / stats.json
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data: 5907 structures, 14 DFT jobs (part 2)
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{
"built": "2026-11-13",
"structures": 5907,
"catalogued": 914,
"ml_verdicts": {
"borderline": 783,
"falls apart": 186,
"plausible": 1315,
"rock solid": 1489,
"unstable": 2134
},
"novelty": {
"skipped": 3103,
"known": 980,
"new composition": 914,
"known composition": 905,
"rediscovered": 5
},
"ml_hull_done": 674,
"ml_hull_at_or_below_0": 1,
"dft_jobs": 14,
"dft_pass": 4,
"dft_fail": 2,
"by_prompt_mode": {
"surprise (before 11-01)": {
"structures": 1681,
"new": 101,
"dft_pass": 4,
"known_skipped": 0,
"hull_checked": 71,
"median_e_hull": 0.115,
"within_0_05": 13
},
"human": {
"structures": 10,
"new": 0,
"dft_pass": 0,
"known_skipped": 0,
"hull_checked": 0,
"median_e_hull": null,
"within_0_05": 0
},
"random formula (before 11-01)": {
"structures": 3713,
"new": 696,
"dft_pass": 0,
"known_skipped": 0,
"hull_checked": 508,
"median_e_hull": 0.39,
"within_0_05": 1
},
"surprise": {
"structures": 69,
"new": 12,
"dft_pass": 0,
"known_skipped": 185,
"hull_checked": 7,
"median_e_hull": 0.062,
"within_0_05": 1
},
"random": {
"structures": 90,
"new": 25,
"dft_pass": 0,
"known_skipped": 123,
"hull_checked": 18,
"median_e_hull": 0.318,
"within_0_05": 2
},
"substitution": {
"structures": 312,
"new": 80,
"dft_pass": 0,
"known_skipped": 249,
"hull_checked": 70,
"median_e_hull": 0.216,
"within_0_05": 2
},
"control": {
"structures": 32,
"new": 0,
"dft_pass": 0,
"known_skipped": 0,
"hull_checked": 0,
"median_e_hull": null,
"within_0_05": 0
}
}
}