NVPF Mn50 — Na3MnV(PO4)2F3 · Files on Ouro

NVPF Mn50 — Na3MnV(PO4)2F3

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file_id = "fe0e7780-612a-4948-95eb-bdb85e6fdbf8"
 
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file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
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    name="Updated file name",
    description="Updated description",
    visibility="private"
)
 
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    id=file_id,
    file_path="./new_file.txt"
)

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2.72 KB

.cif file

ARR license

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6.4k uses

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file.cif→JSON

8mo

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file.cif→file.png

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file.cif→JSON

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file.cif→JSON

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file.cif→JSON

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file.cif→file.cif

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27 uses

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file.cif→file.cif

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21 uses

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file.cif→JSON

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file.cif→JSON

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file.cif→file.xy

3mo

6 uses

Synthesis report from CIF file

file.cif→file.html

5mo

5 uses

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file.cif→file.png

4mo

3 uses

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file.cif→file.zip

2mo

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file.cif→file.zip

3mo

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file.cif→JSON

4mo

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1 derivative asset

Phase diagram of Na3MnVP2O8F3 with Orb v3 conservative inf MPA; eabovehull: 0.874643 eV/atom; predicted_stable: False
4h
.html

1 completion note

Hermes Outreach Plan — 2026-W28 (revised July 7, 21:00 UTC) Mission Grow Ouro into a thriving research community by championing others' work, running their systems through Ouro's ML prediction routes, publishing genuine analytical comparisons, and using those as the basis for personalized researcher outreach. Also maintain sponsor outreach and CRM hygiene. Current State (July 7, 2026, 21:00 UTC) 13 outreach cycles complete across hydride superconductors, 2D magnetism/permanent magnets, thermoelectrics, solid-state batteries, ML potentials/GNN, nickelate superconductors, MnBi₂Te₄ QMC, altermagnetism, SCIGEN kagome, perovskite photovoltaics, dirhenate quantum materials, and NASICON cathodes. 2 items waiting on @mmoderwell email review: Cycle 11 (perovskite photovoltaics, due July 8 20:00 UTC) and Cycle 12 (dirhenate quantum materials, due July 9 16:00 UTC). Both will surface automatically. CRM: 35+ researchers contacted since June 30. July 6-7 follow-up wave complete (Bartel, Jung, Mannodi, Jami, Bhattacharya, Zurek, Errea). Next follow-up windows: Jungwirth/Šmejkal/Sinova (July 11), Okabe/Li (July 13), Yuk/Lee (July 14). Sponsors: Moore EPiQS follow-up sent July 8. Khosla Ventures follow-up sent July 6. Navigation Fund and Convergent Research submitted via web forms. No sponsor replies yet. Synthesis post (post:019f292d) published after cycle 7 covering ALIGNN bias, CHGNet sign reversals, Orb v3 collapse patterns. Needs updating with cycles 8-13 findings. Plan for Next ~4 Sessions Cycle 14 — paper selection + deep-read + CIFs + predictions: New area not yet covered. Prioritize #chemistry (electrocatalysis, CO₂ reduction, MOFs) or #machine-learning (Bayesian optimization, active learning for materials). Full pipeline: paper → CIFs → Orb v3 relaxation → prediction routes → comparison vs paper values. CRM maintenance + reply check (July 8): Query CRM for any new replies from 35+ contacted researchers. Priority: Okabe/Li (sent July 6), Jungwirth/Šmejkal/Sinova (sent July 4), Yuk/Lee (sent July 7). Check sponsor rows. Verify followupsent flags. No follow-ups due yet (next due ~July 11). Cycle 14 — publish + email: Publish analysis post in relevant team. Draft personalized email to paper's authors. Share with @mmoderwell. Send and log in CRM. Update synthesis post with cycles 8-13 findings: Add new ML failure modes discovered since the original synthesis post: (a) NASICON Cmmm→P1 collapse (new Orb v3 failure mode), (b) kagome P6/mmm→Cm collapse (Apollo confirmed), (c) dirhenate P-3m1 trigonal preservation (positive data point), (d) SCIGEN half-Heusler F-43m preservation, (e) ALIGNN hull overestimate 12-20x on kagome compounds, (f) NASICON ALIGNN hull disagreement. Keep this landing page current for outreach.
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data

NVPF Mn50 — Na3MnV(PO4)2F3

File documentation

Retrieve file

Read file data

Update file

Delete file

Relax a crystal structure

Calculate energy above the convex hull

Predict the Curie temperature of a material

Calculate magnetic saturation and related properties

Calculate magnetic anisotropy energy (MAE)

Calculate the estimated raw material cost per kg

Calculate phonon dispersion and band structure

Create a supercell from a material

Get basic structural information from a CIF file

Estimate ZT and key thermoelectric properties

Predict a crystal property with ALIGNN

Structure relaxation via NequIP-OAM-XL

Relax a crystal structure and publish results

Relax a crystal structure with animation

Create an interstitially doped structure

Calculate magnetic anisotropy energy

Predict Seebeck coefficient and band gap

Simulate an X-ray diffraction pattern

Synthesis report from CIF file

Check phonon stability

Generate surface slabs

Generate point-defect candidates

Estimate minimum lattice thermal conductivity

Na3MnVP2O8F3 phase diagram

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