Commit 33eb8f0a authored by Daria Tomecka's avatar Daria Tomecka
Browse files

add new metadata for springer classification

parent b767dc96
......@@ -2878,7 +2878,114 @@
"superNames": [
"settings_XC_functional"
]
},
}, {
"description": "Every section_springer_material contains results of classification of materials with the same formula according to Springer Materials - it contains section_springer_classsification, section_springer_compound, section_springer_id, section_springer_references",
"kindStr": "type_section",
"name": "section_springer_material",
"superNames": [
"section_system"
]
}, {
"description": "Section_springer_classsification contains a classification tag of a material according to Springer Materials",
"kindStr": "type_section",
"name": "section_springer_classification",
"superNames": [
"section_springer_material"
]
}, {
"description": "Contains the classification name of the current material according to Springer Materials",
"dtypeStr": "C",
"name": "springer_classification",
"shape": [],
"superNames": [
"section_springer_classification"
]
}, {
"description": "Number of publications/references using this classification for the current material in the Springer Materials database",
"dtypeStr": "i",
"name": "springer_number_of_classification_reference_per_material",
"shape": [],
"superNames": [
"section_springer_classification"
]
}, {
"description": "Description of a compound class (according to Springer Materials) of the current material. This is a property of the chemical formula of the compound",
"kindStr": "type_section",
"name": "section_springer_compound_class",
"superNames": [
"section_springer_material"
]
}, {
"description": "Name of a class of the current compound, as defined in by Springer Materials. This is a property of the chemical formula of the compound",
"dtypeStr": "C",
"name": "springer_compound_class",
"shape": [],
"superNames": [
"section_springer_compound_class"
]
}, {
"description": "Number of publications/references using this compound class for the current compound in the Springer Materials database",
"dtypeStr": "i",
"name": "springer_number_of_compound_class_reference_per_material",
"shape": [],
"superNames": [
"section_springer_compound_class"
]
}, {
"description": "Identifiers used by Springer Materials",
"kindStr": "type_section",
"name": "section_springer_id",
"superNames": [
"section_springer_material"
]
}, {
"description": "Id of the classified material according to Springer Materials",
"dtypeStr": "C",
"name": "springer_id",
"shape": [],
"superNames": [
"section_springer_id"
]
}, {
"description": "Url to the source page in Springer Materials describing the current entry",
"kindStr": "C",
"name": "springer_url",
"shape": [],
"superNames": [
"section_springer_id"
]
}, {
"description": "Contains the information about references related to current material according to Springer Materials",
"kindStr": "type_section",
"name": "section_springer_references",
"superNames": [
"section_springer_material"
]
}, {
"description": "Contains the information about references related to current material according to Springer Materials",
"kindStr": "C",
"name": "springer_reference",
"shape": [],
"superNames": [
"section_springer_references"
]
}, {
"description": "The formula of current material according to Springer Materials",
"kindStr": "C",
"name": "springer_formula",
"shape": [],
"superNames": [
"section_springer_material"
]
}, {
"description": "Information about the space group of current material according to Springer Materials",
"kindStr": "C",
"name": "springer_space_group",
"shape": [],
"superNames": [
"section_springer_material"
]
}, {
{
"description": "Contains the name for the self-interaction correction (SIC) treatment used to calculate the final energy and related quantities. If skipped or empty, no special correction is applied.\n\nThe following SIC methods are available:\n\n| SIC method | Description |\n| ------------------------- | -------------------------------- |\n| `\"\"` | No correction |\n| `\"SIC_AD\"` | The average density correction |\n| `\"SIC_SOSEX\"` | Second order screened exchange |\n| `\"SIC_EXPLICIT_ORBITALS\"` | (scaled) Perdew-Zunger correction explicitly on a set of orbitals |\n| `\"SIC_MAURI_SPZ\"` | (scaled) Perdew-Zunger expression on the spin density / doublet unpaired orbital |\n| `\"SIC_MAURI_US\"` | A (scaled) correction proposed by Mauri and co-workers on the spin density / doublet unpaired orbital |",
"dtypeStr": "C",
......
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