# Agentic LLM Reasoning in a Self-Driving Laboratory for Air-Sensitive Lithium Halide Spinel Conductors

arXiv: https://arxiv.org/abs/2604.11957 · HTML: https://mlsanity.com/paper/2604.11957/

## Key facts

- Cited by 6 papers in the map (data through 14 Oct 2026).
- Builds on 4 of its 60 references that are in the map.
- First posted on arXiv 13 Apr 2026.

## Builds on (most cited first, 4 of 4)

- [AgentArmor: Enforcing Program Analysis on Agent Runtime Trace to Defend Against Prompt Injection](https://mlsanity.com/paper/2508.01249/) (2025)
- [CASCADE: Cumulative Agentic Skill Creation through Autonomous Development and Evolution](https://mlsanity.com/paper/2512.23880/) (2025)
- [AutoLabs: Cognitive Multi-Agent Systems with Self-Correction for Autonomous Chemical Experimentation](https://mlsanity.com/paper/2509.25651/) (2025)
- [LLMs for Bayesian Optimization in Scientific Domains: Are We There Yet?](https://mlsanity.com/paper/2509.21403/) (2025)

## Built on by (most cited first, 6 of 6)

- [Agentic World Modeling: Foundations, Capabilities, Laws, and Beyond](https://mlsanity.com/paper/2604.22748/) (2026)
- [Harnessing AtomisticSkills for Agentic Atomistic Research](https://mlsanity.com/paper/2605.24002/) (2026)
- [Toward Auditable AI Scientists: A Hypothesis Evolution Protocol for LLM Agents](https://mlsanity.com/paper/2607.09195/) (2026)
- [Hypothesis-Driven Autonomous Materials Synthesis with Multimodal LLM Agents](https://mlsanity.com/paper/2609.18598/) (2026)
- [Clarus: Coordinating Autonomous Research Agents toward Web-Scale Scientific Collaboration](https://mlsanity.com/paper/2606.30246/) (2026)
- [Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature](https://mlsanity.com/paper/2607.23886/) (2026)

## Abstract (arXiv)

Self-driving laboratories promise to accelerate materials discovery. Yet current automated solid-state synthesis platforms are limited to ambient conditions, thereby precluding their use for air-sensitive materials. Here, we present A-Lab for Glovebox Powder Solid-state Synthesis (A-Lab GPSS), a robotic platform capable of synthesizing and characterizing air-sensitive inorganic materials under strict air-free conditions. By integrating an agentic AI framework into the A-Lab GPSS platform, we structure autonomous experimental design through abductive and inductive reasoning. We deploy this platform to explore the vast compositional space of lithium halide spinel solid-state ionic conductors. Across a synthesis campaign comprising 352 samples with diverse compositions, the system explores a broad chemical space, experimentally realizing 72% of the 171 possible pairwise combinations among the 19 metals considered in this study. Over the course of the campaign, the fraction of compositions exhibiting both good ionic conductivity (> 0.05 mS/cm) and high halide spinel phase purity increases from 1.33% in the first 75 agent-proposed samples to 5.33% in the final 75. Furthermore, by inspecting the AI's reasoning processes, we reveal distinct yet complementary discovery strategies: abductive reasoning interrogates abnormal observations within already explored regions, whereas inductive reasoning expands the search into broader, previously unvisited chemical space. This work establishes a scalable platform for the autonomous discovery of complex, air-sensitive solid-state materials.