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Fe2O4Ti_36

Solved Structure

No saved CIF is available for this run. The log and PXRD CSV remain available for inspection.

Energy-R2 Fit

No Energy-R2 PNG is available for this run.

Run Summary

FormulaFe2O4Ti

Crystal Systemorthorhombic

Input SG36

Solved SGn/a

R2n/a

Chi2n/a

Rwp/Wrn/a

Statusincomplete

Valid Structures0

Candidatesn/a

Total Timen/a

Download PXRD CSV Download Log

Search Details

Phase 1 SGs28

Phase 2 Pairsn/a

Refined Structures0

Refine Failures0

Log Preview

================================================================================
Run started: 2026-05-11 16:23:49
Input: /users/qzhu8/GitHub/TEST1/PXRD-agent/GSAS_PXRD/Fe2O4Ti_36.csv
================================================================================
Per-system run log: 0510/logs/RunLog_Fe2O4Ti_36.log

Using deterministic pipeline execution.
Phase 1 — rank  1/28: spg=62 | Found 3 cell(s): vol=1131.4–1491.0 Å³
Phase 1 — rank  2/28: spg=33 | Found 3 cell(s): vol=1131.4–1491.0 Å³
Phase 1 — rank  3/28: spg=53 | Found 3 cell(s): vol=1095.7–1491.0 Å³
Phase 1 — rank  4/28: spg=30 | Found 3 cell(s): vol=1095.7–1491.0 Å³
Phase 1 — rank  5/28: spg=19 | Found 6 cell(s): vol=1131.4–1491.0 Å³
Phase 1 — rank  6/28: spg=58 | Found 6 cell(s): vol=1131.4–1491.0 Å³
Phase 1 — rank  7/28: spg=34 | Found 6 cell(s): vol=1131.4–1491.0 Å³
Phase 1 — rank  8/28: spg=18 | Found 21 cell(s): vol=940.6–1491.0 Å³
Phase 1 — rank  9/28: spg=59 | Found 20 cell(s): vol=1095.7–1491.0 Å³
Phase 1 — rank 10/28: spg=31 | Found 20 cell(s): vol=1095.7–1491.0 Å³
Phase 1 — rank 11/28: spg=51 | Found 16 cell(s): vol=1011.1–1491.0 Å³
Phase 1 — rank 12/28: spg=28 | Found 16 cell(s): vol=1011.1–1491.0 Å³
Phase 1 — rank 13/28: spg=26 | Found 15 cell(s): vol=1011.1–1491.0 Å³
Phase 1 — rank 14/28: spg=57 | Found 1 cell(s): vol=1095.7 Å³
Phase 1 — rank 15/28: spg=29 | Found 1 cell(s): vol=1095.7 Å³
Phase 1 — rank 16/28: spg=17 | Found 26 cell(s): vol=940.6–1491.0 Å³
Phase 1 — rank 17/28: spg=49 | Found 2 cell(s): vol=1095.7 Å³
Phase 1 — rank 18/28: spg=27 | Found 1 cell(s): vol=1095.7 Å³
Phase 1 — rank 19/28: spg=47 | Found 66 cell(s): vol=940.6–1491.0 Å³
Phase 1 — rank 20/28: spg=25 | Found 34 cell(s): vol=940.6–1491.0 Å³
Phase 1 — rank 21/28: spg=16 | Found 12 cell(s): vol=940.6–1491.0 Å³
Phase 1 — rank 22/28: spg=13 | Found 1 cell(s): vol=1093.5 Å³
Phase 1 — rank 23/28: spg=7 | Found 1 cell(s): vol=1093.5 Å³
Phase 1 — rank 24/28: spg=10 | Found 3 cell(s): vol=829.2–1093.5 Å³
Phase 1 — rank 25/28: spg=6 | Found 3 cell(s): vol=829.2–1093.5 Å³
Phase 1 — rank 26/28: spg=3 | Found 3 cell(s): vol=829.2–1093.5 Å³
Phase 1 — rank 27/28: spg=11 | Found 1 cell(s): vol=829.2 Å³
Phase 1 — rank 28/28: spg=4 | Found 1 cell(s): vol=829.2 Å³
No viable (cell, SPG) pairs found; cannot proceed to structure generation.