Schema Types

Table of Contents

• Query
• Objects
  • Information
  • InformationCountableConnection
  • InformationCountableEdge
  • Key
  • KeyCountableConnection
  • KeyCountableEdge
  • NumberKeyValue
  • NumberKeyValueCountableConnection
  • NumberKeyValueCountableEdge
  • PageInfo
  • Publication
  • PublicationCountableConnection
  • PublicationCountableEdge
  • Reaction
  • ReactionCountableConnection
  • ReactionCountableEdge
  • ReactionSystem
  • ReactionSystemCountableConnection
  • ReactionSystemCountableEdge
  • Species
  • SpeciesCountableConnection
  • SpeciesCountableEdge
  • System
  • SystemCountableConnection
  • SystemCountableEdge
  • TextKeyValue
  • TextKeyValueCountableConnection
  • TextKeyValueCountableEdge
• Scalars
  • Boolean
  • Float
  • ID
  • Int
  • JSONString
  • String
• Interfaces
  • Node

Query

Field	Argument	Type	Description
node		Node	The ID of the object
id		ID!
information		InformationCountableConnection
name		String
value		String
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
systems		SystemCountableConnection
calculator		String
calculatorParameters		String
cell		String
charge		Float
charges		String
constraints		String
ctime		Float
data		String
dipole		String
energy		Float
fmax		Float
forces		String
freeEnergy		Float
id		Int
initialCharges		Int
initialMagmoms		Int
keyValuePairs		String
magmom		Float
magmoms		String
mass		Float
masses		Int
momenta		String
mtime		Float
natoms		Int
numbers		String
pbc		Int
positions		String
smax		Float
stress		String
tags		String
uniqueId		String
username		String
volume		Float
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
species		SpeciesCountableConnection
id		Int
n		Int
z		Int
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
key		KeyCountableConnection
id		Int
key		String
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
textKeys		TextKeyValueCountableConnection
id		Int
key		String
value		String
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
numberKeys		NumberKeyValueCountableConnection
id		Int
key		String
value		Float
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
reactions		ReactionCountableConnection
activationEnergy		Float
chemicalComposition		String
coverages		String
dftCode		String
dftFunctional		String
facet		String
id		Int
products		String
pubId		String
reactants		String
reactionEnergy		Float
sites		String
surfaceComposition		String
textsearch		String
username		String
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
reactionSystems		ReactionSystemCountableConnection
aseId		String
energyCorrection		Float
id		Int
name		String
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int
publications		PublicationCountableConnection
authors		String
doi		String
id		Int
journal		String
number		String
pages		String
pubId		String
publisher		String
pubtextsearch		String
tags		String
title		String
year		Int
distinct		Boolean
op		String
search		String
jsonkey		String
order		String
before		String
after		String
first		Int
last		Int

Objects

Information

Field	Argument	Type	Description
name		String!
value		String
id		ID!	The ID of the object.

InformationCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[InformationCountableEdge]!
totalCount		Int

InformationCountableEdge

Field	Argument	Type	Description
node		Information	The item at the end of the edge
cursor		String!	A cursor for use in pagination

Key

Field	Argument	Type	Description
id		ID!	The ID of the object.
key		String!
systems		System

KeyCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[KeyCountableEdge]!
totalCount		Int

KeyCountableEdge

Field	Argument	Type	Description
node		Key	The item at the end of the edge
cursor		String!	A cursor for use in pagination

NumberKeyValue

Field	Argument	Type	Description
id		ID!	The ID of the object.
key		String!
value		Float
systems		System

NumberKeyValueCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[NumberKeyValueCountableEdge]!
totalCount		Int

NumberKeyValueCountableEdge

Field	Argument	Type	Description
node		NumberKeyValue	The item at the end of the edge
cursor		String!	A cursor for use in pagination

PageInfo

Field	Argument	Type	Description
hasNextPage		Boolean!	When paginating forwards, are there more items?
hasPreviousPage		Boolean!	When paginating backwards, are there more items?
startCursor		String	When paginating backwards, the cursor to continue.
endCursor		String	When paginating forwards, the cursor to continue.

Publication

Field	Argument	Type	Description
id		ID!	The ID of the object.
pubId		String
title		String
authors		JSONString
journal		String
number		String
pages		String
year		Int
publisher		String
doi		String
tags		JSONString
pubtextsearch		JSONString
reactions		[Reaction]
systems		[System]

PublicationCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[PublicationCountableEdge]!
totalCount		Int

PublicationCountableEdge

Field	Argument	Type	Description
node		Publication	The item at the end of the edge
cursor		String!	A cursor for use in pagination

Reaction

Field	Argument	Type	Description
id		ID!	The ID of the object.
chemicalComposition		String
surfaceComposition		String
facet		String
sites		JSONString
coverages		JSONString
reactants		JSONString
products		JSONString
reactionEnergy		Float
activationEnergy		Float
dftCode		String
dftFunctional		String
username		String
pubId		String
textsearch		JSONString
Equation		String
reactionSystems		[ReactionSystem]
systems		[System]
publication		Publication

ReactionCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[ReactionCountableEdge]!
totalCount		Int

ReactionCountableEdge

Field	Argument	Type	Description
node		Reaction	The item at the end of the edge
cursor		String!	A cursor for use in pagination

ReactionSystem

Field	Argument	Type	Description
name		String
energyCorrection		Float
aseId		String!
id		ID!	The ID of the object.
reactions		Reaction
systems		System

ReactionSystemCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[ReactionSystemCountableEdge]!
totalCount		Int

ReactionSystemCountableEdge

Field	Argument	Type	Description
node		ReactionSystem	The item at the end of the edge
cursor		String!	A cursor for use in pagination

Species

Field	Argument	Type	Description
id		ID!	The ID of the object.
z		ID!
n		ID!
systems		System

SpeciesCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[SpeciesCountableEdge]!
totalCount		Int

SpeciesCountableEdge

Field	Argument	Type	Description
node		Species	The item at the end of the edge
cursor		String!	A cursor for use in pagination

System

Field	Argument	Type	Description
id		ID!	The ID of the object.
uniqueId		String
ctime		Float
mtime		Float
username		String
numbers		String
positions		String
cell		String
pbc		Int
initialMagmoms		Int
initialCharges		Int
masses		Int
tags		String
momenta		String
constraints		String
calculator		String
calculatorParameters		String
energy		Float
freeEnergy		Float
forces		String
stress		String
dipole		String
magmoms		String
magmom		Float
charges		String
keyValuePairs		String
data		String
natoms		Int
fmax		Float
smax		Float
volume		Float
mass		Float
charge		Float
Facet		String
Positions		String
Numbers		String
Magmoms		String
Username		String
Cell		String
Stress		String
Ctime		String
Adsorbate		String
Dipole		String
Masses		String
DftFunctional		String
Forces		String
Formula		String
InitialMagmoms		String
InitialCharges		String
Pbc		String
Cifdata		String
Charges		String
Reaction		String
Mtime		String
Substrate		String
Momenta		String
DftCode		String
Tags		String
keys		KeyCountableConnection
before		String
after		String
first		Int
last		Int
species		SpeciesCountableConnection
before		String
after		String
first		Int
last		Int
textKeys		TextKeyValueCountableConnection
before		String
after		String
first		Int
last		Int
numberKeys		NumberKeyValueCountableConnection
before		String
after		String
first		Int
last		Int
reactionSystems		ReactionSystemCountableConnection
before		String
after		String
first		Int
last		Int
publication		[Publication]
reactions		ReactionCountableConnection
before		String
after		String
first		Int
last		Int
InputFile		String
format		String

SystemCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[SystemCountableEdge]!
totalCount		Int

SystemCountableEdge

Field	Argument	Type	Description
node		System	The item at the end of the edge
cursor		String!	A cursor for use in pagination

TextKeyValue

Field	Argument	Type	Description
id		ID!	The ID of the object.
key		String!
value		String
systems		System

TextKeyValueCountableConnection

Field	Argument	Type	Description
pageInfo		PageInfo!
edges		[TextKeyValueCountableEdge]!
totalCount		Int

TextKeyValueCountableEdge

Field	Argument	Type	Description
node		TextKeyValue	The item at the end of the edge
cursor		String!	A cursor for use in pagination

Scalars

Boolean

The Boolean scalar type represents true or false.

Float

The Float scalar type represents signed double-precision fractional values as specified by IEEE 754.

ID

The ID scalar type represents a unique identifier, often used to refetch an object or as key for a cache. The ID type appears in a JSON response as a String; however, it is not intended to be human-readable. When expected as an input type, any string (such as "4") or integer (such as 4) input value will be accepted as an ID.

Int

The Int scalar type represents non-fractional signed whole numeric values. Int can represent values between -(2^53 - 1) and 2^53 - 1 since represented in JSON as double-precision floating point numbers specifiedby IEEE 754.

JSONString

JSON String

String

The String scalar type represents textual data, represented as UTF-8 character sequences. The String type is most often used by GraphQL to represent free-form human-readable text.

Interfaces

Node

An object with an ID

Field	Argument	Type	Description
id		ID!	The ID of the object.