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About caluculating energy above hull
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2
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28
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November 13, 2024
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How to high throughput calculate the effective mass from materials project
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1
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249
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November 5, 2024
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Ehull of layered oxides
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1
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9
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November 3, 2024
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Use the atomate2 elastic workflow to reproduce the Elastic Constants given on next-gen.materialsproject.org
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1
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22
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November 3, 2024
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Energy above hull values in materials project
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8
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3331
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October 30, 2024
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'NoneType' object is not callable error when i run test_material = mpr.get_data("mp-149")
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1
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14
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October 30, 2024
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Transform the elastic tensor for the primitive cell of Si to the corresponding elastic tensor in the conventional cell
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1
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14
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October 30, 2024
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How to construct a pourbaix diagram by my own DFT formation energies?
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2
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38
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October 23, 2024
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Inquiry about RedoxDoc - data availability and extraction steps
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3
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35
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October 16, 2024
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Different surface structures from pymatgen and ASE
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0
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31
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October 13, 2024
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Triclinic unit cell to cubic unit cell transformation
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2
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116
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September 19, 2024
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Regarding POSCAR visualization
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1
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18
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September 18, 2024
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Problem with finding band structures of the crystal
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0
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19
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August 28, 2024
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An error occurred using SubstrateAnalyzer Class
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0
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14
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August 21, 2024
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Do I need to divide the numpy array myself in order to obtain the charge density in units 1/Å^3?
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2
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18
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August 20, 2024
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How can i download the chgcar file for multiples mp_ids and convert them into individual npy files?
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12
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136
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August 19, 2024
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Understanding weights of SpaceGroupAnalyzer.get_ir_reciprocal_mesh()
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0
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10
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August 15, 2024
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Is mp-21276 orthorhombic or cubic？
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2
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21
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August 6, 2024
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How to calculate the minial coincident interface area (MCIA) using pymatgen's SubstrateAnalyzer?
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0
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59
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July 18, 2024
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Multi component Pourbaix Diagram with stability heatmap doesn't work
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8
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105
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July 16, 2024
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New user issues and helps needed
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3
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102
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July 2, 2024
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Bulk Modulus for Multiple Materials via Materials Project API
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5
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617
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June 28, 2024
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Access magnetic ordering using mp_api
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4
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141
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June 27, 2024
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Ask about-Chemenv
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0
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66
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June 16, 2024
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Getting NELECT parameter from the queried DOS
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2
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97
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June 10, 2024
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Handling Fractional Occupancy in CIF to POSCAR Conversion
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2
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383
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May 8, 2024
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Controlling which side of slab the vacuum is on
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1
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156
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April 8, 2024
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Averaged XAS spectrum using site_weighted_spectrum in pymatgen.analysis.xas?
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0
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126
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March 7, 2024
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Download materials from battery explorer
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9
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836
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April 1, 2024
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Error during postprocessing of entries for phase diagrams using PYMATGEN
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0
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218
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March 26, 2024
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