zer0contextlost commited on
Commit
28f9424
·
verified ·
1 Parent(s): 8de3726

data: 5747 structures, 9 DFT jobs

Browse files
Files changed (3) hide show
  1. stats.json +3 -3
  2. structures.csv +2 -2
  3. structures.jsonl.gz +2 -2
stats.json CHANGED
@@ -16,7 +16,7 @@
16
  "known composition": 874,
17
  "rediscovered": 5
18
  },
19
- "ml_hull_done": 539,
20
  "ml_hull_at_or_below_0": 0,
21
  "dft_jobs": 9,
22
  "dft_pass": 2,
@@ -45,8 +45,8 @@
45
  "new": 696,
46
  "dft_pass": 0,
47
  "known_skipped": 0,
48
- "hull_checked": 458,
49
- "median_e_hull": 0.4,
50
  "within_0_05": 0
51
  },
52
  "surprise": {
 
16
  "known composition": 874,
17
  "rediscovered": 5
18
  },
19
+ "ml_hull_done": 540,
20
  "ml_hull_at_or_below_0": 0,
21
  "dft_jobs": 9,
22
  "dft_pass": 2,
 
45
  "new": 696,
46
  "dft_pass": 0,
47
  "known_skipped": 0,
48
+ "hull_checked": 459,
49
+ "median_e_hull": 0.399,
50
  "within_0_05": 0
51
  },
52
  "surprise": {
structures.csv CHANGED
@@ -40,7 +40,7 @@ id,created,origin,formula,spacegroup,natoms,ml_verdict,e_form_eV_atom,novelty,ca
40
  39,2026-09-23T01:04:28Z,autopilot,RbP2,P6/mmm,3,plausible,-0.1852,known,False,,,,
41
  40,2026-09-23T01:05:03Z,autopilot,Be2BiWS3,P1,7,plausible,-0.3211,new composition,True,pending,,,
42
  41,2026-09-23T01:05:46Z,autopilot,Ba2Cr2S3,Pmm2,7,rock solid,-0.8632,new composition,True,done,0.7792,,
43
- 42,2026-09-23T01:06:25Z,autopilot,LaNd2(GeRh)4,Immm,22,rock solid,-0.9269,new composition,True,pending,,,
44
  43,2026-09-23T01:06:56Z,autopilot,La5NdSm4,C2/m,20,borderline,-0.0037,skipped,False,,,,
45
  44,2026-09-23T01:07:22Z,autopilot,K2CuAs5,P4/mmm,8,borderline,0.039,skipped,False,,,,
46
  45,2026-09-23T01:07:55Z,autopilot,Ba3(Al2In)2,C2/m,18,plausible,-0.273,new composition,True,pending,,,
@@ -4135,7 +4135,7 @@ id,created,origin,formula,spacegroup,natoms,ml_verdict,e_form_eV_atom,novelty,ca
4135
  4134,2026-10-19T01:27:35Z,autopilot,Y2Cr3O3,Amm2,16,rock solid,-0.5371,new composition,True,done,1.7529,,
4136
  4135,2026-10-19T01:37:47Z,autopilot,Rb2O2,P6_3/mmc,4,rock solid,-0.7399,known composition,False,,,,
4137
  4136,2026-10-19T01:47:54Z,autopilot,PrDyHo,P-6m2,3,unstable,0.0548,skipped,False,,,,
4138
- 4137,2026-10-19T01:58:10Z,autopilot,Ti2B2Pd3,Cmmm,14,rock solid,-0.9291,new composition,True,running,,,
4139
  4138,2026-10-19T02:08:34Z,autopilot,Ba2Sr8Ca,C2/m,22,borderline,0.0161,skipped,False,,,,
4140
  4139,2026-10-19T02:19:03Z,autopilot,HfGe2(HW)2,Pm,7,unstable,0.0765,skipped,False,,,,
4141
  4140,2026-10-19T02:29:38Z,autopilot,CaCuN2,Pmmn,8,unstable,0.1068,skipped,False,,,,
 
40
  39,2026-09-23T01:04:28Z,autopilot,RbP2,P6/mmm,3,plausible,-0.1852,known,False,,,,
41
  40,2026-09-23T01:05:03Z,autopilot,Be2BiWS3,P1,7,plausible,-0.3211,new composition,True,pending,,,
42
  41,2026-09-23T01:05:46Z,autopilot,Ba2Cr2S3,Pmm2,7,rock solid,-0.8632,new composition,True,done,0.7792,,
43
+ 42,2026-09-23T01:06:25Z,autopilot,LaNd2(GeRh)4,Immm,22,rock solid,-0.9269,new composition,True,running,,,
44
  43,2026-09-23T01:06:56Z,autopilot,La5NdSm4,C2/m,20,borderline,-0.0037,skipped,False,,,,
45
  44,2026-09-23T01:07:22Z,autopilot,K2CuAs5,P4/mmm,8,borderline,0.039,skipped,False,,,,
46
  45,2026-09-23T01:07:55Z,autopilot,Ba3(Al2In)2,C2/m,18,plausible,-0.273,new composition,True,pending,,,
 
4135
  4134,2026-10-19T01:27:35Z,autopilot,Y2Cr3O3,Amm2,16,rock solid,-0.5371,new composition,True,done,1.7529,,
4136
  4135,2026-10-19T01:37:47Z,autopilot,Rb2O2,P6_3/mmc,4,rock solid,-0.7399,known composition,False,,,,
4137
  4136,2026-10-19T01:47:54Z,autopilot,PrDyHo,P-6m2,3,unstable,0.0548,skipped,False,,,,
4138
+ 4137,2026-10-19T01:58:10Z,autopilot,Ti2B2Pd3,Cmmm,14,rock solid,-0.9291,new composition,True,done,0.157,,
4139
  4138,2026-10-19T02:08:34Z,autopilot,Ba2Sr8Ca,C2/m,22,borderline,0.0161,skipped,False,,,,
4140
  4139,2026-10-19T02:19:03Z,autopilot,HfGe2(HW)2,Pm,7,unstable,0.0765,skipped,False,,,,
4141
  4140,2026-10-19T02:29:38Z,autopilot,CaCuN2,Pmmn,8,unstable,0.1068,skipped,False,,,,
structures.jsonl.gz CHANGED
@@ -1,3 +1,3 @@
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