Topics tagged pymatgen

Topic	Replies	Views	Activity
How to high throughput calculate the effective mass from materials project Matminer materials-project , pymatgen	0	192	June 12, 2023
Blocked from MP because of intensive querying? Materials Project Data/API error , pymatgen , materials-project	6	269	February 22, 2024
Can't retrieve band structure or dos using MPRester Materials Project Data/API materials-project , pymatgen	3	203	February 22, 2024
How to obtain batch data except rare earth elements Materials Project pymatgen , error , materials-project	5	208	February 22, 2024
r2SCAN data for constructing Pourbaix diagram Materials Project Data/API pymatgen	6	347	February 22, 2024
AttributeError: 'MPDataDoc' object has no attribute 'pretty_formula' Materials Project pymatgen , materials-project , error	4	402	February 22, 2024
pymatgen.ext.matproj.MPRestError Materials Project pymatgen	5	1500	February 22, 2024
Mprester Materials Project pymatgen , materials-project	2	173	February 22, 2024
Discrepancy in crystal structure of materials queried from materials project using pymatgen Materials Project pymatgen	5	273	February 22, 2024
How to retrieve all entries of a general formula using get_entries_in_chemsys? pymatgen pymatgen	2	166	May 17, 2023
Details of pseudo potential used in materials project Materials Project Data/API pymatgen	2	276	February 22, 2024
Decomposition of materials in MP Materials Project pymatgen , materials-project , howto	1	221	February 22, 2024
Build GGA/GGA+U/R2SCAN (Mixed) phase diagrams via new API Materials Project Data/API pymatgen	22	1457	February 22, 2024
Pourbaix Diagram pymatgen pymatgen	0	413	April 3, 2023
Convert data obtained from MPrester summary.search to a Dataframe ,fields in search as columns in dataframe Materials Project Data/API materials-project , pymatgen , howto	2	391	February 22, 2024
Difference in structure with old and new api Materials Project Website/Apps materials-project , pymatgen	2	333	February 22, 2024
Pymatgen module generate vampire ucf file but error Materials Project Data/API pymatgen , error	1	241	February 22, 2024
Changing parameters with new API Key Materials Project Data/API pymatgen	2	291	February 22, 2024
Fractions of decomposition products Materials Project pymatgen	3	519	February 22, 2024
Angle (glitch?) in a crystal structure under periodic boundary conditions pymatgen pymatgen	1	314	February 16, 2023
Query data from database v2021.02.08 Materials Project Data/API pymatgen , materials-project	3	264	February 22, 2024
Pymatgen error when using qlaunch FireWorks pymatgen , howto	1	374	February 8, 2023
Constructing convex_hull and Pourbaix diagrams with newly calculated data Materials Project pymatgen	4	889	February 22, 2024
Download CIF files using MP new API Materials Project pymatgen , materials-project	1	455	February 22, 2024
How does get_entries_in_chemsys() get the compositions Materials Project Data/API pymatgen , materials-project , howto	2	623	February 22, 2024
Converting CIF fils of molecular crystal to its Molecule object Materials Project Data/API pymatgen , materials-project	1	340	February 22, 2024
Difference of energies in Computed entries for new API key Materials Project Data/API pymatgen	2	307	February 22, 2024
Different of POSCAR from API and MP website! Materials Project pymatgen , materials-project	3	303	February 22, 2024
MPRelaxSet.write_input() no EDIFFG in INCAR pymatgen materials-project , pymatgen	3	428	January 8, 2023
Featurize the formula to molecular weight？ Matminer materials-project , pymatgen , ase	0	249	December 29, 2022