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Varying results with get_primitive_structure
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1
|
264
|
August 31, 2023
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Transform Supercell to Unitcell
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0
|
93
|
August 29, 2023
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How to implement atat to pymatgen
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0
|
295
|
December 9, 2022
|
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Can the spin projected band structure be plotted
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0
|
88
|
August 24, 2023
|
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Getting covalent radii using pymatgen
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2
|
123
|
August 23, 2023
|
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Construction of a supercell from partial site occupancy or Wyckoff position
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2
|
126
|
August 17, 2023
|
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Suggesting substrate with new pymatgen API
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2
|
103
|
August 17, 2023
|
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Shifting of site coordinates in pymatgen.core.structure.Structure
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0
|
100
|
August 9, 2023
|
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Is it possible to create solid solution like Cd0.5Zn0.5S with pymatgen?
|
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5
|
438
|
August 7, 2023
|
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To solve the error: "TypeError: 'CompoundPhaseDiagram' object is not iterable"
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7
|
519
|
August 1, 2023
|
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Source of information of elemental properties
|
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0
|
83
|
July 23, 2023
|
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Error with get_element_profile
|
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2
|
607
|
July 7, 2023
|
|
How to calculation voltage and Capacity , daw plot of Voltage & Capacity
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0
|
158
|
July 6, 2023
|
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POTCAR questions
|
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12
|
4812
|
June 29, 2023
|
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I want to know how much strain is on the heterointerface(ZSLGenerator, CoherentInterfaceBuilder)
|
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0
|
135
|
June 13, 2023
|
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MPAqueousCompatibility applies hydrate correction to non-hydrate materials
|
|
10
|
233
|
June 9, 2023
|
|
About the use of MagneticStructureEnumerator class
|
|
5
|
370
|
June 1, 2023
|
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Searching materials with a general formula
|
|
0
|
94
|
June 1, 2023
|
|
How to get mineral or gem name from cif or mat_id
|
|
0
|
104
|
May 26, 2023
|
|
How to download only FM materials using MAPI?
|
|
1
|
129
|
May 26, 2023
|
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How to retrieve all entries of a general formula using get_entries_in_chemsys?
|
|
2
|
113
|
May 17, 2023
|
|
Pymatgen molecule from structure
|
|
0
|
177
|
May 6, 2023
|
|
LOBSTER Pymatgen NN
|
|
0
|
125
|
April 30, 2023
|
|
Structure file, cif
|
|
4
|
215
|
April 28, 2023
|
|
Create video/gif from XDATCAR
|
|
6
|
351
|
April 27, 2023
|
|
Rotating polyhedron in lattice
|
|
0
|
152
|
April 27, 2023
|
|
Get bonds using matminer or pymatgen
|
|
0
|
126
|
April 26, 2023
|
|
VoronoiInterstitialGenerator use
|
|
0
|
180
|
April 17, 2023
|
|
Pourbaix Diagram
|
|
0
|
253
|
April 3, 2023
|
|
Pourbaix digram entry with a wrong composition
|
|
3
|
261
|
March 26, 2023
|