4 files0 folders8.4 kB

Columns for the archive contents
Name	Type	Size

Files and folders contained in this archive
001_NaCl_Fm-3m_0meV.cif	CIF	5.3 kB
002_NaCl2_P6_mmm_157meV.cif	CIF	1.1 kB
003_Na2Cl_I4_mmm_161meV.cif	CIF	1.5 kB
phases.csv	CSV	513 B

inOct 17

Cl-Na: Matra-Genoa structures (3 formulas, 1 near hull)

Data Docs Logs

4 files0 folders8.4 kB

Columns for the archive contents
Name	Type	Size

Files and folders contained in this archive
001_NaCl_Fm-3m_0meV.cif	CIF	5.3 kB
002_NaCl2_P6_mmm_157meV.cif	CIF	1.1 kB
003_Na2Cl_I4_mmm_161meV.cif	CIF	1.5 kB
phases.csv	CSV	513 B

Overview

Result of · via Explore a chemical system with Matra-Genoa and build its phase diagram

Cl-Na: Matra-Genoa phase diagram (1 near hull, 0 new)

88

Attribution

Actions

Attribution

ARR license

The best Matra-Genoa structure for each of 3 formulas in Cl-Na, relaxed with ORB v3 and ranked by energy above the hull of Ouro's shared structure database. phases.csv lists hull distances, space groups and novelty. Model-generated; not DFT-validated. Generated with Matra-Genoa (De Breuck et al., npj Comput. Mater. 12, 60 (2026), doi:10.1038/s41524-025-01940-8) and relaxed with Orb-v3 (arXiv:2504.06231) via TorchSim (doi:10.1088/3050-287X/ae1799).

8

Stats

Size: 3 KB
Type: .zip file
Downloads: 0

Join to comment

1

DataData

DataData

Overview

Cl-Na: Matra-Genoa structures (3 formulas, 1 near hull)

Overview

Attribution

Actions

Attribution

Stats

Actions

Data

Data