Averaged XAS spectrum using site_weighted_spectrum in pymatgen.analysis.xas?
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1
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29
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March 19, 2024
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How to Scrape all perovskite (ABO3) type information from materials project api?
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4
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101
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March 18, 2024
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Hybridization and DOSFeaturizer of Matminer for an ASE database (C2DB)
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0
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24
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March 15, 2024
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Can't reproduce uncorrected_energy_per_atom
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0
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30
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March 7, 2024
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Is there potential for the Materials Project Database to provide details on the Wavefunctions for the electronic structure calculations?
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0
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135
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October 31, 2023
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Annotations in ternary, 2D PDPlotter
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0
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39
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February 21, 2024
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Getting different catalyst structures & atomic positions from website and api (cif, poscar, everything)
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7
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62
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February 17, 2024
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Get_structure_by_material_id no longer works for me
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6
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80
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February 15, 2024
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MPRester.query shows type error
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2
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88
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February 8, 2024
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Bulk Modulus for Multiple Materials via Materials Project API
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2
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75
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February 2, 2024
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Grand Potential Phase Diagram Plotting Issue
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0
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100
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February 2, 2024
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Adding new, non MP phase to `CompoundPhaseDiagram`
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2
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117
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January 26, 2024
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How can I convert dict to 'MPDataDoc' object back?
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3
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71
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January 23, 2024
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Pymatgen diffussion analyzer
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0
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93
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January 22, 2024
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About error:No Voronoi neighbors found for site - try increasing cutoff
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7
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104
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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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65
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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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47
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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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73
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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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110
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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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144
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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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89
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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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694
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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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139
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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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128
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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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502
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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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1075
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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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1409
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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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1051
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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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368
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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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364
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February 22, 2024
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