Project A023: Structural Validation and Theoretical Coordinates for 8-Element High-Entropy Hydride (P6/mmm)

Overview: This dataset contains the structural models and simulated diffraction data for Project A023, a high-entropy superconducting candidate (Ti_{0.7}Zr_{0.1}Ca_{0.2}Li_{1.0}B_4H_{5.38}F_{0.23}O_{0.07}). This record is specifically prepared for the Molecular Foundry Spring 2026 Proposal Call. Technical Specifications: Symmetry: Hexagonal P6/mmm (Space Group 191). Lattice Constants: a = 4.84 Å, c = 2.99 Å. Theoretical Framework: Informational Constraints Quantum Event Realism (ICQER). Target Environment: Stable at 2–5 GPa (Moderate Pressure). Data Contents: Lattice_A023.cif: Concise crystallographic information file optimized for DFT (Density Functional Theory) input. XRD_Simulation.csv: Predicted X-ray diffraction pattern (Cu-Kα) featuring the diagnostic primary peak at 12.5^\circ. ICQER_Technical_Note.pdf: Brief theoretical justification for 8-element stabilization