|
Validity of GGA(+U)/r2SCAN Mixing in Pymatgen Pourbaix Tools
|
|
3
|
51
|
August 13, 2025
|
|
Disappearance of Energy Corrections for mp‑1100405 (ScTeRh) under GGA/GGA+U
|
|
4
|
33
|
August 11, 2025
|
|
Consistency issue between ThermoDoc and SummaryDoc
|
|
2
|
27
|
July 25, 2025
|
|
How to apply corrections to SCAN energy calculations?
|
|
8
|
75
|
July 23, 2025
|
|
The theory/calculation behind energy-above-hull: how to calculate for quarternary structures?
|
|
12
|
720
|
July 21, 2025
|
|
Bulk Modulus for Multiple Materials via Materials Project API
|
|
8
|
793
|
July 9, 2025
|
|
Formation energy for CoO2 from materials project data
|
|
1
|
23
|
July 7, 2025
|
|
Handling Fractional Occupancy in CIF to POSCAR Conversion
|
|
5
|
698
|
July 7, 2025
|
|
Get_phonon_dos_by_material_id returns None; many mp-api dependency issues with latest upgrade
|
|
9
|
82
|
June 17, 2025
|
|
Related Materials Calculation
|
|
4
|
32
|
June 10, 2025
|
|
2D Material Superlattice Construction
|
|
5
|
74
|
May 23, 2025
|
|
Access magnetic ordering using mp_api
|
|
8
|
215
|
May 22, 2025
|
|
Hi. I want to download some data about batteries from the materials project
|
|
4
|
44
|
May 13, 2025
|
|
Is it Expected for Output Structure to Deviate from FCC Seed Framework When Using Pymatgen SQSTransformation with mcsqs?
|
|
5
|
32
|
May 9, 2025
|
|
Amset deform read with pymatgen Symmetry Undetermined Error
|
|
1
|
82
|
May 6, 2025
|
|
Inquiry about the implementation details of GGA_GGA+U_R2SCAN mixing in Materials Project
|
|
1
|
26
|
April 16, 2025
|
|
How to add calculated partial atomic charges into a cif file
|
|
0
|
32
|
March 18, 2025
|
|
Convex Hull and Delithiation Phase Stability
|
|
2
|
79
|
March 7, 2025
|
|
Nitrogen gas temperature correction for reaction energy calculation
|
|
1
|
31
|
March 6, 2025
|
|
Inquiry Regarding Discrepancy in Phase Diagram Data from API and Web Interface
|
|
9
|
81
|
February 26, 2025
|
|
Multi component Pourbaix Diagram with stability heatmap doesn't work
|
|
9
|
184
|
February 7, 2025
|
|
How to get the noncollinear magnetic moment of each atom using the Materials Project API?
|
|
2
|
40
|
July 17, 2025
|
|
An error occurred using SubstrateAnalyzer Class
|
|
1
|
41
|
January 11, 2025
|
|
How to transform the disordered structure to ordered structure?
|
|
3
|
114
|
July 17, 2025
|
|
Question about methodology in Battery Explorer
|
|
0
|
23
|
December 20, 2024
|
|
About caluculating energy above hull
|
|
4
|
86
|
December 19, 2024
|
|
Inconsistency between Materials Project Database bandgap and pymatgen calculated bandgap
|
|
6
|
73
|
December 16, 2024
|
|
How redefine the lattice orientation by pymatgen?
|
|
2
|
36
|
December 14, 2024
|
|
About the exact potcar version used by MP
|
|
2
|
21
|
November 27, 2024
|
|
How to high throughput calculate the effective mass from materials project
|
|
1
|
292
|
November 5, 2024
|