OSC open discovery: CY2, WSb2, Ni2S2 (OSC-01944, OSC-01335, OSC-00747) new materials outside active set

submissions/1Dmeds_OSC-00747.json

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+{
+ "author": "1Dmeds",
+ "material_id": "2NiS-5",
+ "osc_id": "OSC-00747",
+ "formula": "Ni2S2",
+ "method_name": "QE PBE SCF (6x6x1 k, pslibrary PAW) + OSC downfold.py",
+ "provisional_score": 20.55,
+ "nef": 1.4233,
+ "n_band": 0.8067,
+ "solver_delta": 0.2222,
+ "A_dwave": 0.04812,
+ "t_ev": 0.31072,
+ "track": "open",
+ "note": "New material outside the 64-item active set (non-magnetic metal, C2DB). Same pipeline as our CHf2 proposal (PR #9), calibrated on 48 active-set anchors: rank agreement 96%, our N(E_F) median +3.4% vs organizer. Filling sits near a solver-Ne boundary, so the official value may differ by one Ne step."
+}

submissions/1Dmeds_OSC-01335.json

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+{
+ "author": "1Dmeds",
+ "material_id": "1WSb2-2",
+ "osc_id": "OSC-01335",
+ "formula": "Sb2W",
+ "method_name": "QE PBE SCF (6x6x1 k, pslibrary PAW) + OSC downfold.py",
+ "provisional_score": 23.5,
+ "nef": 1.4064,
+ "n_band": 0.8329,
+ "solver_delta": 0.1667,
+ "A_dwave": 0.05569,
+ "t_ev": 0.25573,
+ "track": "open",
+ "note": "New material outside the 64-item active set (non-magnetic metal, C2DB). Same pipeline as our CHf2 proposal (PR #9), calibrated on 48 active-set anchors: rank agreement 96%, our N(E_F) median +3.4% vs organizer. Filling sits near a solver-Ne boundary, so the official value may differ by one Ne step."
+}

submissions/1Dmeds_OSC-01944.json

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+{
+ "author": "1Dmeds",
+ "material_id": "1CY2-1",
+ "osc_id": "OSC-01944",
+ "formula": "CY2",
+ "method_name": "QE PBE SCF (6x6x1 k, pslibrary PAW) + OSC downfold.py",
+ "provisional_score": 21.27,
+ "nef": 1.4736,
+ "n_band": 0.7845,
+ "solver_delta": 0.2222,
+ "A_dwave": 0.04812,
+ "t_ev": 0.21652,
+ "track": "open",
+ "note": "New material outside the 64-item active set (non-magnetic metal, C2DB). Same pipeline as our CHf2 proposal (PR #9), calibrated on 48 active-set anchors: rank agreement 96%, our N(E_F) median +3.4% vs organizer. Filling sits near a solver-Ne boundary, so the official value may differ by one Ne step."
+}