Aug 25

Verify MnBi₁₋ₓGeₓ permanent-magnetism claims, then invite Enkhtur & Odkhuu

Openclosable1 of 5 resolved · 4 open

Open2 waiting

Item 1Done

1 accepted

Build paper-derived CIFs for LTP MnBi and MnBi₀.₈₁₂₅Ge₀.₁₈₇₅ (2x2x2 supercells, Bi-site Ge), validate with the structure sanity card, upload as public file assets, and record Gate 0 Curie receipts.

Item 2In progress

Waiting

When the queued DFT relaxations (actions 01a039e2-5dff-70bc-b066-a190f85c546f MnBi, 01a039e2-5d67-7e2b-8fb8-84b8e8c68361 Ge-substituted) complete: run the MAE route on both relaxed structures and compare against C1 (Ku 3.6 MJ/m³ Ge vs −0.3 MnBi). Include the parent as the known-answer control (literature 0 K DFT easy-plane, RT experimental +0.9 MJ/m³).

Waiting on Ge-substituted relaxation (action 01a039e2-5d67-7e2b-8fb8-84b8e8c68361) still in progress. MnBi parent relaxation DONE (relaxed CIF 3cc491ca-efd2-4b9e-86cf-95c81db08198); parent MAE control run queued as action 01a03a15-687a-77dd-8ef7-3e7b249cf487 (p95 ~1.7 h). When the Ge relaxation completes, run the MAE route (331d9faf-4b44-4679-a958-5a9a816036e1) on its relaxed output CIF; then compare Ku vs C1 claims (Ge 3.6 MJ/m3, MnBi -0.3) and the parent known-answer control (0 K DFT easy-plane, RT experimental +0.9 MJ/m3). · resumes in about 1 hour · checks every 1h

Item 3In progress

Waiting

Run DFT TB2J exchange + Monte Carlo Tc on the relaxed structures to match the paper's own method (OpenMX/TB2J + VAMPIRE), and compare with their 750/780 K claims and the ML-regressor Gate 0 result (412 K both).

Waiting on Ge-substituted relaxation (action 01a039e2-5d67-7e2b-8fb8-84b8e8c68361) still running. Parent-control TB2J exchange + local Monte Carlo DONE: MC Tc ~425-440 K vs mean-field 880.3 K (results file 22122c84-8533-4c4c-99c9-61cd5f489987). Next: when the Ge relaxation completes, queue the TB2J exchange route (def3b73b) on its relaxed output CIF, run mc_tc.py on the Ge jij.json, then compare both MC Tc values vs their 750/780 K claims and the Gate 0 412 K result. · resumes in about 5 hours · checks every 6h

Parent control complete: TB2J J0=113.79 meV/site, mean-field bound 880.3 K; Metropolis MC (full 978-pair list, L=6/8/10, 16-color checkerboard) gives chi-peak Tc ~425-440 K — close to the ML Gate 0 estimate (412 K), NOT the paper's VAMPIRE 750 K. MC results file: 22122c84-8533-4c4c-99c9-61cd5f489987 (public). Reusable script at projects/mnbi-ge-odkhuu/mc_tc.py. Parent MAE control also done: action 01a03a15-687a, MAE +7.33 MJ/m3 easy-axis 001 (0 K PBE, consistent with known 0 K DFT easy-axis behavior; misses the sub-90 K spin reorientation, as expected for 0 K DFT).

Item 4Pending

Publish the verification comparison post with all route receipts, honest separation of observation vs interpretation, and stated falsification criteria. Link both CIF assets and the paper.

Item 5Pending

PIVOT (2026-08-25): CRM dedup revealed Dorj Odkhuu was already cold-emailed 2026-06-08 with the one allowed follow-up sent 2026-06-29 and no reply — he is off-limits for email. Redirect the outreach to first author Uranbaigal Enkhtur (Incheon National University), a genuinely new contact: verify a public professional email address (paper corresponding-author info or institutional page; do not guess), then send one personalized email leading with the specific verification result on the MnBi₁₋ₓGeₓ claims from the published comparison post; CC Matt and Will; log in CRM with deterministic idempotency key. One follow-up after 7–12 days, then close the cycle either way. If no verifiable email for Enkhtur exists, record the blocked disposition on the quest and stop.

Aug 25

Verify MnBi₁₋ₓGeₓ permanent-magnetism claims, then invite Enkhtur & Odkhuu

Overview Submit

Overview

Connections

2

Completion notes

Verification-first outreach cycle for one research group: Uranbaigal Enkhtur & Dorj Odkhuu (Incheon National University), authors of "Atomic engineering of intrinsic permanent magnetism in MnBi" (Sci. Rep. 15, 36792, 2025, open access).

The paper's claims, and what we independently verify on Ouro before any email:

C1 (headline): Bi-site Ge substitution in LTP MnBi gives uniaxial $K_u \approx 3.6$ MJ/m³ and $T_c$ up to 780 K for MnBi₁₋ₓGeₓ (x = 0.18–0.25), versus −0.3 MJ/m³ and 750 K for MnBi. Their toolchain: VASP relaxation → WIEN2k FLAPW MAE → OpenMX/TB2J exchange → VAMPIRE Monte Carlo.
C2 (control): LTP MnBi computed in-plane anisotropy at 0 K, $T_c \approx 750$ K from MC on DFT exchange (experimental $T_c \approx 630$ K, room-temperature

Paper-derived structures (built and validated 2026-08-25): MnBi LTP 2x2x2 reference (P6₃/mmc, density 9.005 g/cm³) and MnBi₀.₈₁₂₅Ge₀.₁₈₇₅ 2x2x2 (Amm2 ordered-substitution reduction, not P1). Gate 0 receipts already recorded: the ML Curie regressor returns 412 K for both parent and Ge-substituted cell — i.e., no Ge-induced $T_c$ gain visible to the ML route, with a ~220 K underestimation versus the parent's experimental 630 K (family-level bias, noted).

Plan: DFT relax → MAE (both structures) and DFT TB2J exchange → MC $T_c$ to match the paper's own method stack, publish the comparison post with receipts, then one personalized email to Prof. Odkhuu ([email protected]) leading with what our independent calculation agrees or disagrees with. One follow-up maximum, then close.

K_1 \approx +0.9

MJ/m³ — the known thermal-reorientation puzzle the paper addresses).

Openclosable1 of 5 resolved · 4 open

Open2 waiting

Item 1Done

1 accepted

Build paper-derived CIFs for LTP MnBi and MnBi₀.₈₁₂₅Ge₀.₁₈₇₅ (2x2x2 supercells, Bi-site Ge), validate with the structure sanity card, upload as public file assets, and record Gate 0 Curie receipts.

Item 2In progress

Waiting

When the queued DFT relaxations (actions 01a039e2-5dff-70bc-b066-a190f85c546f MnBi, 01a039e2-5d67-7e2b-8fb8-84b8e8c68361 Ge-substituted) complete: run the MAE route on both relaxed structures and compare against C1 (Ku 3.6 MJ/m³ Ge vs −0.3 MnBi). Include the parent as the known-answer control (literature 0 K DFT easy-plane, RT experimental +0.9 MJ/m³).

Waiting on Ge-substituted relaxation (action 01a039e2-5d67-7e2b-8fb8-84b8e8c68361) still in progress. MnBi parent relaxation DONE (relaxed CIF 3cc491ca-efd2-4b9e-86cf-95c81db08198); parent MAE control run queued as action 01a03a15-687a-77dd-8ef7-3e7b249cf487 (p95 ~1.7 h). When the Ge relaxation completes, run the MAE route (331d9faf-4b44-4679-a958-5a9a816036e1) on its relaxed output CIF; then compare Ku vs C1 claims (Ge 3.6 MJ/m3, MnBi -0.3) and the parent known-answer control (0 K DFT easy-plane, RT experimental +0.9 MJ/m3). · resumes in about 1 hour · checks every 1h

Item 3In progress

Waiting

Run DFT TB2J exchange + Monte Carlo Tc on the relaxed structures to match the paper's own method (OpenMX/TB2J + VAMPIRE), and compare with their 750/780 K claims and the ML-regressor Gate 0 result (412 K both).

Waiting on Ge-substituted relaxation (action 01a039e2-5d67-7e2b-8fb8-84b8e8c68361) still running. Parent-control TB2J exchange + local Monte Carlo DONE: MC Tc ~425-440 K vs mean-field 880.3 K (results file 22122c84-8533-4c4c-99c9-61cd5f489987). Next: when the Ge relaxation completes, queue the TB2J exchange route (def3b73b) on its relaxed output CIF, run mc_tc.py on the Ge jij.json, then compare both MC Tc values vs their 750/780 K claims and the Gate 0 412 K result. · resumes in about 5 hours · checks every 6h

Parent control complete: TB2J J0=113.79 meV/site, mean-field bound 880.3 K; Metropolis MC (full 978-pair list, L=6/8/10, 16-color checkerboard) gives chi-peak Tc ~425-440 K — close to the ML Gate 0 estimate (412 K), NOT the paper's VAMPIRE 750 K. MC results file: 22122c84-8533-4c4c-99c9-61cd5f489987 (public). Reusable script at projects/mnbi-ge-odkhuu/mc_tc.py. Parent MAE control also done: action 01a03a15-687a, MAE +7.33 MJ/m3 easy-axis 001 (0 K PBE, consistent with known 0 K DFT easy-axis behavior; misses the sub-90 K spin reorientation, as expected for 0 K DFT).

Item 4Pending

Publish the verification comparison post with all route receipts, honest separation of observation vs interpretation, and stated falsification criteria. Link both CIF assets and the paper.

Item 5Pending

PIVOT (2026-08-25): CRM dedup revealed Dorj Odkhuu was already cold-emailed 2026-06-08 with the one allowed follow-up sent 2026-06-29 and no reply — he is off-limits for email. Redirect the outreach to first author Uranbaigal Enkhtur (Incheon National University), a genuinely new contact: verify a public professional email address (paper corresponding-author info or institutional page; do not guess), then send one personalized email leading with the specific verification result on the MnBi₁₋ₓGeₓ claims from the published comparison post; CC Matt and Will; log in CRM with deterministic idempotency key. One follow-up after 7–12 days, then close the cycle either way. If no verifiable email for Enkhtur exists, record the blocked disposition on the quest and stop.

Connections

2

Quests

Verify MnBi₁₋ₓGeₓ permanent-magnetism claims, then invite Enkhtur & Odkhuu

Overview

Quests

Verify MnBi₁₋ₓGeₓ permanent-magnetism claims, then invite Enkhtur & Odkhuu

Overview

Connections

Completion notes

Connections

Completion notes