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The theory/calculation behind energy-above-hull: how to calculate for quarternary structures?
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6
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65
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January 20, 2025
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Inquiry Regarding Discrepancy in Phase Diagram Data from API and Web Interface
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5
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33
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January 19, 2025
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How to get the noncollinear magnetic moment of each atom using the Materials Project API?
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1
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16
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January 14, 2025
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An error occurred using SubstrateAnalyzer Class
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1
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21
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January 11, 2025
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How to transform the disordered structure to ordered structure?
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2
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42
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December 24, 2024
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Question about methodology in Battery Explorer
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0
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10
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December 20, 2024
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About caluculating energy above hull
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4
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47
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December 19, 2024
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Inconsistency between Materials Project Database bandgap and pymatgen calculated bandgap
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6
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50
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December 16, 2024
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How redefine the lattice orientation by pymatgen?
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2
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21
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December 14, 2024
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Handling Fractional Occupancy in CIF to POSCAR Conversion
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3
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484
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December 12, 2024
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About the exact potcar version used by MP
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2
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14
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November 27, 2024
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Amset deform read with pymatgen Symmetry Undetermined Error
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0
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48
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November 20, 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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261
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November 5, 2024
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Ehull of layered oxides
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1
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10
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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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33
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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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3530
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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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22
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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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19
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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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69
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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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38
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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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55
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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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123
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September 19, 2024
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Regarding POSCAR visualization
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1
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20
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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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27
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August 28, 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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21
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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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146
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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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15
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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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22
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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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65
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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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116
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July 16, 2024
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