Topics tagged materials-project

Topic	Replies	Views	Activity
Blocked from MP because of intensive querying? Materials Project Data/API materials-project , pymatgen , error	1	18	June 6, 2023
JARVISCFID doesn't allow me to featurize crystallographic information files (CIF) of compounds containing the element Europium (Eu) JARVIS matminer , materials-project	1	28	June 5, 2023
How can I get young's modulus using MP API Materials Project howto , materials-project	4	31	June 1, 2023
Can't retrieve band structure or dos using MPRester Materials Project Data/API pymatgen , materials-project	2	37	May 31, 2023
How to obtain batch data except rare earth elements Materials Project pymatgen , error , materials-project	4	41	May 30, 2023
MP doesn't allow me to query anymore Materials Project Data/API pymatgen , materials-project	5	56	May 26, 2023
AttributeError: 'MPDataDoc' object has no attribute 'pretty_formula' Materials Project error , pymatgen , materials-project	3	34	May 25, 2023
Mprester Materials Project pymatgen , materials-project	1	34	May 24, 2023
Querying elements to include one wildcard element (ex, A-*-B) Materials Project Data/API howto , materials-project	1	50	May 22, 2023
Band gap on R2SCAN run-type are available via new API? Materials Project Data/API materials-project	2	38	May 16, 2023
Study of molecular beam epitaxy growth of monoclinic structure on Wurtzite sturatucre substrate by molecular dynamics simulation LAMMPS General Discussion lammps , materials-project	3	73	May 12, 2023
Problem in bond and angle parameter in forming topology file LAMMPS General Discussion lammps , materials-project	7	95	May 3, 2023
Save the SummaryDoc as a json File Materials Project Data/API materials-project , howto	1	211	November 14, 2022
Why do we have a negative stress value at the initiation of the uniaxial loading Materials Project lammps , materials-project	0	30	April 27, 2023
Decomposition of materials in MP Materials Project pymatgen , howto , materials-project	0	49	April 22, 2023
Inconsistent results for mp-2176 Materials Project materials-project , bug-report	5	126	April 19, 2023
Fine-tuning CHGNet with AIMD data Science Talk python , howto , materials-project , machine-learning	3	183	April 18, 2023
Convert data obtained from MPrester summary.search to a Dataframe ,fields in search as columns in dataframe Materials Project Data/API howto , materials-project , pymatgen	1	98	March 27, 2023
Difference in structure with old and new api Materials Project Website/Apps pymatgen , materials-project	1	118	March 17, 2023
Error, 'MPDataDoc' object is not subscriptable', Materials Project Data/API error , pymatgen , materials-project , python , howto	4	227	March 9, 2023
Extracting data frame from MP using Matminer's get_dataframe() method Matminer materials-project	1	216	March 7, 2023
Question about running a diffusion simulation code using a structure generated after initial NPT and NVT equilibration LAMMPS General Discussion error , materials-project , lammps , howto	1	89	March 4, 2023
Query data from database v2021.02.08 Materials Project Data/API pymatgen , materials-project	2	112	February 15, 2023
Proper hostname for NERSC-hosted MongoDB (Atomate2 setup) Atomate2 materials-project , howto	0	147	February 3, 2023
Download CIF files using MP new API Materials Project materials-project , pymatgen	0	158	January 29, 2023
How does get_entries_in_chemsys() get the compositions Materials Project Data/API pymatgen , materials-project , howto	1	181	January 29, 2023
Converting CIF fils of molecular crystal to its Molecule object Materials Project Data/API materials-project , pymatgen	0	105	January 24, 2023
Charge-balance analysis using pymatgen pymatgen materials-project	1	244	January 23, 2023
Calculating Interaction Energy between an Atom/Molecule and Surface using LAMMPS LAMMPS General Discussion energy , materials-project , lammps	2	152	January 19, 2023
Different of POSCAR from API and MP website! Materials Project pymatgen , materials-project	2	159	January 18, 2023