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View article: A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1)
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1) Open
This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. It consists of two kinds of JSON files. Smaller lightweight JSONS consists of summarized bonding info…
View article: A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2)
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2) Open
This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. The files are named as per ID numbers in the materials project database. Here, we provide the larger …
View article: A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1)
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1) Open
This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. It consists of two kinds of JSON files. Smaller lightweight JSONS consists of summarized bonding info…
View article: A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2)
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2) Open
This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. The files are named as per ID numbers in the materials project database. Here, we provide the larger …
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 7)
Quantum-Chemical Bonding Database (Unprocessed data : Part 7) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 5)
Quantum-Chemical Bonding Database (Unprocessed data : Part 5) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 6)
Quantum-Chemical Bonding Database (Unprocessed data : Part 6) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 1)
Quantum-Chemical Bonding Database (Unprocessed data : Part 1) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 4)
Quantum-Chemical Bonding Database (Unprocessed data : Part 4) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 8)
Quantum-Chemical Bonding Database (Unprocessed data : Part 8) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 3)
Quantum-Chemical Bonding Database (Unprocessed data : Part 3) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 2)
Quantum-Chemical Bonding Database (Unprocessed data : Part 2) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 3)
Quantum-Chemical Bonding Database (Unprocessed data : Part 3) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 8)
Quantum-Chemical Bonding Database (Unprocessed data : Part 8) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 4)
Quantum-Chemical Bonding Database (Unprocessed data : Part 4) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 1)
Quantum-Chemical Bonding Database (Unprocessed data : Part 1) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 6)
Quantum-Chemical Bonding Database (Unprocessed data : Part 6) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 2)
Quantum-Chemical Bonding Database (Unprocessed data : Part 2) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 7)
Quantum-Chemical Bonding Database (Unprocessed data : Part 7) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.tx…
View article: Quantum-Chemical Bonding Database (Unprocessed data : Part 5)
Quantum-Chemical Bonding Database (Unprocessed data : Part 5) Open
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project…
View article: A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2)
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2) Open
This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. The files are named as per ID numbers in the materials project database. Here we provide the larger c…
View article: A Quantum-Chemical Bonding Database for Solid-State Materials
A Quantum-Chemical Bonding Database for Solid-State Materials Open
An in-depth insight into the chemistry and nature of the individual chemical bonds is essential for understanding materials. Bonding analysis is thus expected to provide important features for large-scale data analysis and machine learning…
View article: A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1)
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1) Open
This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. It consists of two kinds of json files. Smaller lightweight JSONS consists of summarized bonding info…