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About error：No Voronoi neighbors found for site - try increasing cutoff
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7
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243
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January 20, 2024
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Is there any way we can validate MOF structure with the help of this package?
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0
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140
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January 16, 2024
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How to calculate XANES utilizing atomate?
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0
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157
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January 11, 2024
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Constructing a Phase Diagram to a new compound
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1
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177
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January 10, 2024
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What is the Tolerance Level for Identifying a “Single Layer” in SlabGenerator? Can it Be Modified?
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2
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189
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December 19, 2023
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How to calculate the defect formation energy by pymatgen
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1
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297
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December 5, 2023
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Non-Equivalent T-Sites from a cif file
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0
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177
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December 1, 2023
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REST query returned with error status code 500
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6
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873
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November 30, 2023
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Mp-1067248: Reported Symmetry Inconsistent with Lattice
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3
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230
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November 9, 2023
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Loading XRD file with .str format
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0
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235
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October 31, 2023
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Pourbaix Diagram for an Alloy/Solid
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10
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841
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October 31, 2023
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Voronoi Neighbors Issue in Matminer
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4
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1275
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October 29, 2023
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Error module 'numpy.linalg._umath_linalg' has no attribute '_ilp64'
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0
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1875
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October 19, 2023
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Question about Grand Potential Interfacial Reactivity
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8
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1264
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October 17, 2023
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How can I generate a phase diagram by my entries and pymatgen entries together using mp_api?
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3
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606
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February 23, 2024
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A example of phase diagram at new mp_api website
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3
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466
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February 22, 2024
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Building a Pourbaix Diagram manually: (Error) Reference solid not contained in entry list
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1
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290
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October 2, 2023
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Materials information mismatch between the website and query from the pymatgen MPRester
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2
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239
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February 22, 2024
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StructureMatcher function in pymatgen
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0
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193
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September 28, 2023
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Inconsistency in Ion Energies for C-Containing Entries in Pymatgen Pourbaix Diagrams
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3
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270
|
September 26, 2023
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Wrong name of Pourbaix Entry
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4
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237
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September 25, 2023
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Pourbaix_diagram module: Energy and nPhi vs nH2O in a PourbaixEntry
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6
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897
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March 22, 2022
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Pourbaix diagrams of the compounds with the same elements but different formulas
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9
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734
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February 22, 2024
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Discrepancy between oxidation states obtained through bond_valence in pyamtgen and the oxidation states route of the Materials Project
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5
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439
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February 22, 2024
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Error for get_pourbaix_entries with new mp_api
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15
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914
|
February 22, 2024
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Compatibility of pymatgen.analysis.defects with atomate2
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0
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268
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August 23, 2023
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Construction of a supercell from partial site occupancy or Wyckoff position
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2
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342
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August 17, 2023
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Planning to update MPRelaxSet.yaml for PBE_52 and PBE_54
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2
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435
|
February 22, 2024
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Is it possible to create solid solution like Cd0.5Zn0.5S with pymatgen?
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5
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716
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August 7, 2023
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How can I resolve proxy when using API from python?
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6
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312
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February 22, 2024
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