data: 5747 structures, 9 DFT jobs
Browse files- stats.json +3 -3
- structures.csv +2 -2
- structures.jsonl.gz +2 -2
stats.json
CHANGED
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@@ -16,7 +16,7 @@
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| 16 |
"known composition": 874,
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| 17 |
"rediscovered": 5
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| 18 |
},
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| 19 |
-
"ml_hull_done":
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| 20 |
"ml_hull_at_or_below_0": 0,
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| 21 |
"dft_jobs": 9,
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| 22 |
"dft_pass": 2,
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@@ -45,8 +45,8 @@
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| 45 |
"new": 696,
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| 46 |
"dft_pass": 0,
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| 47 |
"known_skipped": 0,
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| 48 |
-
"hull_checked":
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| 49 |
-
"median_e_hull": 0.
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| 50 |
"within_0_05": 0
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| 51 |
},
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| 52 |
"surprise": {
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|
|
|
| 16 |
"known composition": 874,
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| 17 |
"rediscovered": 5
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| 18 |
},
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| 19 |
+
"ml_hull_done": 540,
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| 20 |
"ml_hull_at_or_below_0": 0,
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| 21 |
"dft_jobs": 9,
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| 22 |
"dft_pass": 2,
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|
|
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| 45 |
"new": 696,
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| 46 |
"dft_pass": 0,
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| 47 |
"known_skipped": 0,
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| 48 |
+
"hull_checked": 459,
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| 49 |
+
"median_e_hull": 0.399,
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| 50 |
"within_0_05": 0
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| 51 |
},
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| 52 |
"surprise": {
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structures.csv
CHANGED
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@@ -40,7 +40,7 @@ id,created,origin,formula,spacegroup,natoms,ml_verdict,e_form_eV_atom,novelty,ca
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| 40 |
39,2026-09-23T01:04:28Z,autopilot,RbP2,P6/mmm,3,plausible,-0.1852,known,False,,,,
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| 41 |
40,2026-09-23T01:05:03Z,autopilot,Be2BiWS3,P1,7,plausible,-0.3211,new composition,True,pending,,,
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| 42 |
41,2026-09-23T01:05:46Z,autopilot,Ba2Cr2S3,Pmm2,7,rock solid,-0.8632,new composition,True,done,0.7792,,
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| 43 |
-
42,2026-09-23T01:06:25Z,autopilot,LaNd2(GeRh)4,Immm,22,rock solid,-0.9269,new composition,True,
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| 44 |
43,2026-09-23T01:06:56Z,autopilot,La5NdSm4,C2/m,20,borderline,-0.0037,skipped,False,,,,
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| 45 |
44,2026-09-23T01:07:22Z,autopilot,K2CuAs5,P4/mmm,8,borderline,0.039,skipped,False,,,,
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| 46 |
45,2026-09-23T01:07:55Z,autopilot,Ba3(Al2In)2,C2/m,18,plausible,-0.273,new composition,True,pending,,,
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@@ -4135,7 +4135,7 @@ id,created,origin,formula,spacegroup,natoms,ml_verdict,e_form_eV_atom,novelty,ca
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| 4135 |
4134,2026-10-19T01:27:35Z,autopilot,Y2Cr3O3,Amm2,16,rock solid,-0.5371,new composition,True,done,1.7529,,
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| 4136 |
4135,2026-10-19T01:37:47Z,autopilot,Rb2O2,P6_3/mmc,4,rock solid,-0.7399,known composition,False,,,,
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| 4137 |
4136,2026-10-19T01:47:54Z,autopilot,PrDyHo,P-6m2,3,unstable,0.0548,skipped,False,,,,
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| 4138 |
-
4137,2026-10-19T01:58:10Z,autopilot,Ti2B2Pd3,Cmmm,14,rock solid,-0.9291,new composition,True,
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| 4139 |
4138,2026-10-19T02:08:34Z,autopilot,Ba2Sr8Ca,C2/m,22,borderline,0.0161,skipped,False,,,,
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| 4140 |
4139,2026-10-19T02:19:03Z,autopilot,HfGe2(HW)2,Pm,7,unstable,0.0765,skipped,False,,,,
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| 4141 |
4140,2026-10-19T02:29:38Z,autopilot,CaCuN2,Pmmn,8,unstable,0.1068,skipped,False,,,,
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|
| 40 |
39,2026-09-23T01:04:28Z,autopilot,RbP2,P6/mmm,3,plausible,-0.1852,known,False,,,,
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| 41 |
40,2026-09-23T01:05:03Z,autopilot,Be2BiWS3,P1,7,plausible,-0.3211,new composition,True,pending,,,
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| 42 |
41,2026-09-23T01:05:46Z,autopilot,Ba2Cr2S3,Pmm2,7,rock solid,-0.8632,new composition,True,done,0.7792,,
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| 43 |
+
42,2026-09-23T01:06:25Z,autopilot,LaNd2(GeRh)4,Immm,22,rock solid,-0.9269,new composition,True,running,,,
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| 44 |
43,2026-09-23T01:06:56Z,autopilot,La5NdSm4,C2/m,20,borderline,-0.0037,skipped,False,,,,
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| 45 |
44,2026-09-23T01:07:22Z,autopilot,K2CuAs5,P4/mmm,8,borderline,0.039,skipped,False,,,,
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| 46 |
45,2026-09-23T01:07:55Z,autopilot,Ba3(Al2In)2,C2/m,18,plausible,-0.273,new composition,True,pending,,,
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| 4135 |
4134,2026-10-19T01:27:35Z,autopilot,Y2Cr3O3,Amm2,16,rock solid,-0.5371,new composition,True,done,1.7529,,
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| 4136 |
4135,2026-10-19T01:37:47Z,autopilot,Rb2O2,P6_3/mmc,4,rock solid,-0.7399,known composition,False,,,,
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| 4137 |
4136,2026-10-19T01:47:54Z,autopilot,PrDyHo,P-6m2,3,unstable,0.0548,skipped,False,,,,
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| 4138 |
+
4137,2026-10-19T01:58:10Z,autopilot,Ti2B2Pd3,Cmmm,14,rock solid,-0.9291,new composition,True,done,0.157,,
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| 4139 |
4138,2026-10-19T02:08:34Z,autopilot,Ba2Sr8Ca,C2/m,22,borderline,0.0161,skipped,False,,,,
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| 4140 |
4139,2026-10-19T02:19:03Z,autopilot,HfGe2(HW)2,Pm,7,unstable,0.0765,skipped,False,,,,
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| 4141 |
4140,2026-10-19T02:29:38Z,autopilot,CaCuN2,Pmmn,8,unstable,0.1068,skipped,False,,,,
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structures.jsonl.gz
CHANGED
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@@ -1,3 +1,3 @@
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| 1 |
version https://git-lfs.github.com/spec/v1
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| 2 |
-
oid sha256:
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-
size
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| 1 |
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:41ef9a97fb793aa453110ef9bb6e06e4431b5936c07e525b1b1344ba4467f670
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| 3 |
+
size 1387490
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