FluxMateria w_cuprate dataset
Description
This dataset contains the full computational screening outputs, experimental design matrix, and pre-defined validation protocol for the FluxMateria tungsten-cuprate discovery case study, as reported in the associated manuscript and website case study (https://fluxmateria.com/case-studies/w-cuprate-discovery). The FluxMateria engine is a deterministic, physics-native screening tool (not machine-learning-based) used here to narrow a universe of more than 12,800 tungsten-modified calcium–barium–copper–oxide stoichiometric candidates to three experiment-ready leads in a five-stage funnel (generate → screen → basin-validate → micro-refine → experiment-ready). The primary lead, WCaBaCu₃O₇Mo, carries a screening-estimated ambient Tc of 160.3 K. No samples have been synthesized or characterized; this is a pre-experimental design dataset. The deposit contains seven CSV files: (1) a discovery-funnel summary, (2) the ranked fluorine-free lead/control table, (3) the full 24-candidate ranked basin output with all scoring dimensions, (4) a nine-sample first-batch DOE matrix encoding three compositions crossed with three oxygen-history branches (OX-Rich, OX-Opt, OX-Lean), (5) the four-gate superconductivity validation standard that must be satisfied in full before any Tc claim is considered credible, (6) the ordered characterization ladder with promotion criteria, and (7) a benchmark Tc context table for comparison with known cuprates. A non-confidential workflow description (Markdown) explains the five-stage funnel, multi-criteria ranking logic, fluorine-free branch selection rationale, ceramic synthesis thermal envelope, and validation standard. The manuscript graphical abstract is included as a supplementary image. All Tc values are computational screening estimates used for prioritization purposes only and should not be interpreted as experimentally measured transition temperatures. The tungsten-modified calcium–barium–copper–oxide composition family described here is subject to a patent-pending application (FluxMateria Labs, Olbia, Italy, March 2026).
Files
Steps to reproduce
The screening outputs were generated using the FluxMateria Materials Designer tool, a proprietary deterministic physics-native screening engine. The tool is not open-source. Researchers wishing to reproduce or extend these results must access FluxMateria directly. Sign up for access at https://fluxmateria.com Use the Materials Designer tool with the W-cuprate seed compositions listed in protocol/workflow_description.md (Section 3) Apply the five-stage funnel settings described in the same document Export ranked outputs and compare against the CSV files in /data/