Topics tagged pymatgen

Topic	Replies	Views	Activity
Validity of pre-computed phase diagrams for GGA/GGA+U/R2SCAN scheme Materials Project Data/API pymatgen	13	388	February 22, 2024
Interface reaction inconsistent result Materials Project materials-project , pymatgen	3	242	February 22, 2024
Error, 'MPDataDoc' object is not subscriptable', Materials Project Data/API error , python , materials-project , howto , pymatgen	7	1037	February 22, 2024
MP doesn't allow me to query anymore Materials Project Data/API pymatgen , materials-project	8	777	February 22, 2024
Getting phase diagram w/ finite-temperature estimation Materials Project materials-project , pymatgen	3	561	February 22, 2024
The angle of surface slab is lower than 90 degree Materials Project pymatgen	1	277	February 22, 2024
I want to know how much strain is on the heterointerface(ZSLGenerator, CoherentInterfaceBuilder) pymatgen pymatgen	0	257	June 13, 2023
Downloading VASP input settings used for MP Calculations Materials Project howto , pymatgen , materials-project	2	264	February 22, 2024
How to high throughput calculate the effective mass from materials project Matminer pymatgen , materials-project	0	232	June 12, 2023
Blocked from MP because of intensive querying? Materials Project Data/API materials-project , error , pymatgen	6	330	February 22, 2024
Can't retrieve band structure or dos using MPRester Materials Project Data/API pymatgen , materials-project	3	273	February 22, 2024
How to obtain batch data except rare earth elements Materials Project materials-project , pymatgen , error	5	283	February 22, 2024
r2SCAN data for constructing Pourbaix diagram Materials Project Data/API pymatgen	6	451	February 22, 2024
AttributeError: 'MPDataDoc' object has no attribute 'pretty_formula' Materials Project materials-project , pymatgen , error	4	628	February 22, 2024
pymatgen.ext.matproj.MPRestError Materials Project pymatgen	5	1636	February 22, 2024
Mprester Materials Project materials-project , pymatgen	2	282	February 22, 2024
Discrepancy in crystal structure of materials queried from materials project using pymatgen Materials Project pymatgen	5	323	February 22, 2024
How to retrieve all entries of a general formula using get_entries_in_chemsys? pymatgen pymatgen	2	211	May 17, 2023
Details of pseudo potential used in materials project Materials Project Data/API pymatgen	2	352	February 22, 2024
Decomposition of materials in MP Materials Project howto , materials-project , pymatgen	1	263	February 22, 2024
Build GGA/GGA+U/R2SCAN (Mixed) phase diagrams via new API Materials Project Data/API pymatgen	22	1753	February 22, 2024
Pourbaix Diagram pymatgen pymatgen	0	478	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 , howto , pymatgen	2	458	February 22, 2024
Difference in structure with old and new api Materials Project Website/Apps pymatgen , materials-project	2	393	February 22, 2024
Pymatgen module generate vampire ucf file but error Materials Project Data/API error , pymatgen	1	295	February 22, 2024
Changing parameters with new API Key Materials Project Data/API pymatgen	2	366	February 22, 2024
Fractions of decomposition products Materials Project pymatgen	3	696	February 22, 2024
Angle (glitch?) in a crystal structure under periodic boundary conditions pymatgen pymatgen	1	363	February 16, 2023
Query data from database v2021.02.08 Materials Project Data/API pymatgen , materials-project	3	301	February 22, 2024
Pymatgen error when using qlaunch FireWorks howto , pymatgen	1	487	February 8, 2023