/
mpds.schema.json
executable file
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/
mpds.schema.json
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{
"$schema": "http://json-schema.org/draft-04/schema#",
"description": "Defines the MPDS API input queries (q-parameter) and output data (S = crystal structures, P = physical properties, and C = phase diagrams)",
"version": "1.0.6",
"definitions": {
"input_query": {
"type": "object",
"description": "A query string parameter *q*",
"additionalProperties": false,
"properties": {
"props": {
"description": "Any of the three levels of the physical properties (domains, categories and properties per se, see https://mpds.io/#hierarchy); SINGLE: combination of several terms is not supported",
"type": "string"
},
"elements": {
"description": "Chemical elements; equal or greater element count in a compound is returned; MULTIPLE: combination of several terms is supported (separate by minus)",
"type": "string"
},
"classes": {
"description": "Various groups of terms: i.e. mineral names, periodic groups, physical classes, element count keywords etc., nearly 4500 in total; MULTIPLE: combination of several terms is supported (separate by comma)",
"type": "string"
},
"lattices": {
"description": "Crystal system; SINGLE: combination of several terms is not supported",
"type": "string",
"enum": ["cubic","hexagonal","trigonal","tetragonal","orthorhombic","monoclinic","triclinic"]
},
"formulae": {
"description": "Chemical formula; SINGLE: combination of several terms is not supported",
"type": "string"
},
"sgs": {
"description": "Space group; SINGLE: combination of several terms is not supported",
"type": ["string", "number"],
"enum": ["Pc21b","Pba2","I-42m","Ibmm","B2/m11","I-4","I422","F4/mmm","P6cc","P42/nbc","I-42d","P4/nbm","P-43m","I4mm","I4/m","P112","Pnab","Pcmn","A112/a","R3m","Im-3","Aea2","P2221","P-4b2","P-3c1","P-31c","Pa-3","P3121","P-4m2","P121/c1","Pcca","Pcmb","P321","A112/m","P-6m2","Ia-3d","I4/mmm","Pmmn","P4232","Ccm21","B222","C1","P4bm","I4/mcm","R-3c","Pbc21","P42cm","P6","Fm2m","C1m1","P63/mmc","P21ma","Fmmm","C12/c1","Ima2","I1m1","I112/m","Pnm21","Pbcm","Ccce","P-4","Pcan","F2mm","P42/nmc","I213","P4nc","Pmnn","P121","F3m","I-43m","P3221","Fd-3m","Pmmm","P-4c2","Ccc2","P-6","P-421m","P21/n11","B112","A2122","F12/m1","Pbnn","Bmm2","Iba2","Pb21a","Im-3m","P63mc","P-421c","I112/b","Pn21m","P21nb","Pcnb","P31c","P21/c11","A121","P622","Pna21","I23","Cc2m","P1121/n","P6/mcc","Ama2","Pbnm","Pnnn","Pbca","Pnc2","I41/acd","P1121/b","Bbmb","P4","P213","F-1","Pn-3","Pnam","P2/m11","P23","C2221","Bmmb","I41md","Pmnb","P63/m","C-1","Pm-3","Pmmb","P61","Im2a","Ibam","P4122","P63/mcm","P1121/a","Pmma","Bb2b","Pcnm","P222","I41/a","P-42c","F23","C4/mmg1","Pcam","P112/n","P42/mmc","Pbn21","P42212","P4/m","Ia-3","P42/mbc","C4/mmm","F41/d","C222","P62","I12/a1","Pcma","P3","C12/m1","P-6c2","P-4n2","P1","Pcm21","P6122","P42/m","Pm-3n","P1121/m","P21/b11","C2/c11","I112","P21cn","P432","P63cm","Pm2a","P41212","I4132","A2aa","Pmn21","P63","Cmc21","P11n","I41","Pnn2","A-1","I-4c2","P4332","P21ab","I1a1","Pbna","P42/mnm","P21221","Pmcm","P2mm","Pb21m","Fdd2","B2eb","P1211","Cmce","P4/mbm","Fmm2","P42bc","I222","Bbmm","Bmeb","P4/mcc","Pn-3n","Ibca","Pca21","B2/b11","Bbem","P65","P21nm","Pman","B112/b","F4/mmc","R3","Bbeb","R32","A21am","C4/amm","Fddd","P21212","C121","C2/m11","Aema","Pbcn","P-31m","Amam","Immm","Fm-3","P42","I12/c1","I1","Pccn","Pnca","P-62c","B11n","C112","Cmm2","P4/mmm","I4122","F-4d2","P3m1","F1","P4/nnc","P3212","I2mb","F4132","P4mm","Cmcm","P112/m","P31m","C42/acm","P6422","P312","Bmmm","B121/c1","Icmm","B112/m","Pc2m","Pbmm","I41/amd","A2mm","P1c1","Pbmb","P42mc","F-43m","Pnnm","P12/c1","Imma","I2/m11","I212121","Pnma","R-3m","Pmcn","Fd-3c","Fd-3","P11m","P121/a1","Cmme","Ccmm","P1m1","P4/ncc","C2mm","Pcab","A112","A12/m1","F-3c","Pcc2","Pmc21","C4122","Cccm","Pmna","Pm-3m","P4/n","Ccme","F41/ddm","P4222","Fm-3c","Pmm2","P2111","P121/n1","I432","P42/mcm","Cm2m","P12/m1","Pnan","B11b","C1c1","R-3","B1","Imm2","Bb21m","F3c","P212121","P121/m1","Bbe2","Pn21a","F432","R3c","P21am","Pnmn","P6322","P3c1","Fm-3m","Pbmn","P4/nmm","F222","F-3m","Pbma","Amm2","I4","I-3","P6222","Pbam","Pnna","Bm11","C11m","P4212","P-1","I-4m2","I2cm","Amaa","P-3","Pc21n","I-1","I112/a","P43212","P112/a","Icma","P11a","Ibm2","P4132","P42/nnm","P42/ncm","Pm21n","P32","Pccm","Immb","F-43c","I2/c11","I12/m1","I2mm","Pmam","P31","Pmca","P4cc","Pnmm","P6mm","P3112","P-42m","Pban","P-62m","Aem2","Pmnm","P43","P41","Amma","Imam","Pma2","P1121","P6/m","Aeam","I41cd","Ae2a","F4/m","P4/mnc","P42/n","B1211","P12/n1","Ic2m","A12/a1","P-43n","P-3m1","Imcb","I1c1","I121","P6/mmm","Pn-3m","P42nm","Im2m","Pnmb","Cmmm","Pmab","Aeaa","P12/a1","Ammm","P422","P21/m11","I-43d","P1n1","P1a1","I4cm",1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230]
},
"protos": {
"description": "Prototype system (Strukturbericht symbol like D01 or formula *vs.* Pearson symbol *vs.* space group number like CaTiO3 cP5 221), nearly 14000 distinct prototypes, including about 250 Strukturbericht symbols; SINGLE: combination of several terms is not supported",
"type": "string"
},
"aeatoms": {
"description": "Polyhedron atoms (center and ligands) e.g. Ag, X-Se, TiO6, TiX6 (X stands for any element); SINGLE: combination of several terms is not supported",
"type": "string"
},
"aetype": {
"description": "Polyhedral type (with CN); MULTIPLE: combination of several terms is supported (separate by comma)",
"type": "string",
"enum": ["single atom 1-vertex","non-collinear atoms 2-vertex","collinear atoms 2-vertex","non-coplanar triangle 3-vertex","coplanar triangle 3-vertex","tetrahedron 4-vertex","tetrahedron central atom outside 4-vertex","coplanar square 4-vertex","non-coplanar square 4-vertex","square pyramid 5-vertex","trigonal bipyramid 5-vertex","square pyramid central atom outside or base plane 5-vertex","coplanar pentagon 5-vertex","octahedron 6-vertex","trigonal prism 6-vertex","pentagonal pyramid 6-vertex","distorted prism 6-vertex","coplanar hexagon 6-vertex","non-coplanar hexagon 6-vertex","monocapped octahedron 7-vertex","top-monocapped trigonal prism 7-vertex","bicapped hexagon 7-vertex","hexagonal pyramid 7-vertex","monocapped trigonal prism 7-vertex","pentagonal bipyramid 7-vertex","square prism cube 8-vertex","square antiprism 8-vertex","hexagonal bipyramid 8-vertex","distorted square anti-prism-a 8-vertex","double anti-trigonal prism 8-vertex","side-bicapped trigonal prism 8-vertex","distorted square anti-prism-b 8-vertex","tricapped trigonal prism 9-vertex","monocapped square prism 9-vertex","monocapped double anti-trigonal prism 9-vertex","truncated hexagonal pyramid 9-vertex","bicapped hexagonal pyramid 9-vertex","4-capped trigonal prism 10-vertex","bicapped square prism 10-vertex","bicapped square antiprism 10-vertex","triangle-pentagon faced polyhedron 10-vertex","distorted equatorial 4-capped trigonal prism 10-vertex","truncated hexagonal bipyramid 10-vertex","polar bicapped square prism 10-vertex","pentagonal prism 10-vertex","octagonal bipyramid 10-vertex","5-capped trigonal prism 11-vertex","pseudo Frank-Kasper 11-vertex","monotruncated icosahedron 11-vertex","tricapped cube same plane 11-vertex","tricapped cube different plane 11-vertex","icosahedron 12-vertex","cuboctahedron 12-vertex","bicapped pentagonal prism 12-vertex","anticuboctahedron 12-vertex","hexagonal prism 12-vertex","triangle-hexagon faced polyhedron 12-vertex","double-bicapped cube 12-vertex","pseudo Frank-Kasper 13-vertex","tricapped pentagonal prism 13-vertex","monocapped cuboctahedron-a 13-vertex","monocapped cuboctahedron-b 13-vertex","14-vertex Frank-Kasper","rhombic dodecahedron 14-vertex","distorted rhombic dodecahedron 14-vertex","bicapped hexagonal prism 14-vertex","6-capped hexagonal bipyramid 14-vertex","double-bicapped hexagonal prism 14-vertex","15-vertex Frank-Kasper","equatorial 5-capped pentagonal-prism 15-vertex","polar equatorial tricapped pentagonal-prism 15-vertex","monotruncated 16-vertex Frank-Kasper","16-vertex Frank-Kasper","defective 8-equatorial capped pentagonal prism 16-vertex","octagonal prism 16-vertex","7-capped pentagonal prism 17-vertex","8-equatorial capped pentagonal prism 18-vertex","pseudo Frank-Kasper 18-vertex","6-capped hexagonal prism 18-vertex","double-bicapped heptagonal prism 18-vertex","distorted pseudo Frank-Kasper 19-vertex","pseudo Frank-Kasper 19-vertex","pseudo Frank-Kasper 20-vertex","20-pentagonal faced polyhedron 20-vertex","pseudo Frank-Kasper 21-vertex","polar 8-equatorial capped hexagonal prism 22-vertex","pseudo Frank-Kasper 23-vertex","6-square 8-hexagonal faced polyhedron 24-vertex","pseudo Frank-Kasper 24-vertex","truncated cube dice 24-vertex","triangle-square-hexagon faced polyhedron 24-vertex","triangle-square faced polyhedron 24-vertex","pseudo Frank-Kasper 26-vertex","pseudo Frank-Kasper 28-vertex","32-vertex","all 2-vertex","all 3-vertex","all 4-vertex","all 5-vertex","all 6-vertex","all 7-vertex","all 8-vertex","all 9-vertex","all 10-vertex","all 11-vertex","all 12-vertex","all 13-vertex","all 14-vertex","all 15-vertex","all 16-vertex","all 18-vertex","all 19-vertex","all 20-vertex","all 24-vertex"]
},
"authors": {
"description": "Original publication author(s); MULTIPLE: combination of several terms is supported (separate by comma)",
"type": "string"
},
"codens": {
"description": "International 6-symbol CODEN of a journal, see https://cassi.cas.org; SINGLE: combination of several terms is not supported",
"type": "string"
},
"years": {
"description": "Original publication years; MULTIPLE: combination of several terms is supported (e.g. 1990-2018, maximum timespan is 50 years)",
"type": ["string", "number"]
},
"geos": {
"description": "*Country* or *city* of the author(s) (*areas* such as lands, cantons, etc. are currently not fully supported); SINGLE: combination of several terms is not supported",
"type": "string"
},
"orgs": {
"description": "Organization, hosting the research (this field is currently not fully standardized); SINGLE: combination of several terms is not supported",
"type": "string"
}
},
"anyOf": [
{"required": ["props"]},
{"required": ["elements"]},
{"required": ["classes"]},
{"required": ["lattices"]},
{"required": ["formulae"]},
{"required": ["sgs"]},
{"required": ["protos"]},
{"required": ["aeatoms"]},
{"required": ["aetype"]},
{"required": ["authors"]},
{"required": ["codens"]},
{"required": ["years"]},
{"required": ["geos"]},
{"required": ["orgs"]}
]
},
"crystal_structure": {
"type": "object",
"description": "Crystal structures data type",
"additionalProperties": false,
"properties": {
"phase": {
"description": "Unique material phase (according to the LPF distinct phases concept), can be none",
"type": ["string", "null"]
},
"phase_id": {
"description": "Unique material phase identifier (according to the LPF distinct phases concept), can be none",
"type": ["number", "null"]
},
"chemical_formula": {
"description": "Standard chemical formula",
"type": "string"
},
"prototype": {
"description": "Prototype system: chemical formula, Pearson symbol, and space group number",
"type": "string"
},
"sg_n": {
"description": "Space group number",
"type": "number",
"minimum": 1,
"maximum": 230
},
"sg_hm": {
"description": "International or Hermann-Mauguin notation of the space group",
"type": "string"
},
"cell_abc": {
"description": "Standardized crystal cell as _a_, _b_, _c_, _alpha_, _beta_, _gamma_, in angstroms and degrees",
"type": "array",
"minItems": 6,
"maxItems": 6,
"items": {
"type": "number",
"minimum": 0.5,
"maximum": 1305.0
}
},
"basis_noneq": {
"description": "Non-equivalent fractional atomic coordinates",
"type": "array",
"minItems": 0,
"items": {
"type": "array",
"minItems": 3,
"maxItems": 3
}
},
"symops": {
"description": "Symmetry operations for CIF, according to [IUCR](http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html)",
"type": "array",
"minItems": 1,
"items": {
"type": "string"
}
},
"els_noneq": {
"description": "Valid chemical elements",
"type": "array",
"minItems": 0,
"items": {
"type": "string",
"enum": ["H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"]
}
},
"labels_noneq": {
"description": "Non-equivalent atomic labels, may contain important information, such as hydroxyl label",
"type": "array",
"minItems": 0,
"items": {
"type": "string"
},
"uniqueItems": true
},
"occs_noneq": {
"description": "Non-equivalent atomic site occupancies, according to [IUCR](http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_occupancy.html)",
"type": "array",
"minItems": 0,
"items": {
"type": "number",
"minimum": 0.0001,
"maximum": 1.0
}
},
"periodic_nums_noneq": {
"description": "Periodic numbers (not to confuse with the atomic numbers) for chemical elements in the crystalline structure",
"type": "array",
"minItems": 0,
"items": {
"type": "number",
"minimum": 1,
"maximum": 236
}
},
"linus_pauling_nums_noneq": {
"description": "Legacy information",
"type": "array",
"minItems": 0
},
"wyck_noneq": {
"description": "Wyckoff positions",
"type": "array",
"minItems": 0,
"items": {
"type": "string"
}
},
"ssym_noneq": {
"description": "Site symmetries",
"type": "array",
"minItems": 0
},
"entry": {
"description": "Internal LPF and MPDS identifier",
"type": "string"
},
"version": {
"description": "MPDS API version, w.r.t. this data type",
"type": "string",
"enum": ["1.0.6"]
},
"object_repr": {
"description": "Legacy information",
"type": "string"
},
"object_type": {
"description": "MPDS data type",
"type": "string",
"enum": ["S"]
},
"reference": {
"description": "Persistent URLs of data",
"type": "object",
"additionalProperties": false,
"properties": {
"entry": {
"description": "Persistent URL of the entry",
"type": "string"
},
"phase": {
"description": "Persistent URL of the distinct phase",
"type": "string"
}
},
"required": ["entry"]
},
"density": {
"description": "Density, in Mg/m3 (zero if unknown)",
"type": "number",
"minimum": 0,
"maximum": 50
},
"volume": {
"description": "Standardized cell volume, in cubic angstroms",
"type": "number",
"minimum": 5,
"maximum": 600000
},
"r_factor": {
"description": "R factor (if available); in high quality determinations must be less than 0.03",
"type": ["number", "null"],
"minimum": 0.001,
"maximum": 1.0
},
"condition": {
"description": "Temperature (K) and pressure (GPa) for cell and structure determination (if non-standard)",
"type": "array",
"minItems": 0,
"items": {
"type": ["number", "null"]
}
},
"comments": {
"description": "Editors' comments concerning the data extraction and processing",
"type": "array",
"minItems": 0,
"items": {
"type": "string"
}
}
},
"required": ["phase", "phase_id", "chemical_formula", "prototype", "sg_n", "sg_hm", "cell_abc", "basis_noneq", "symops", "els_noneq", "labels_noneq", "occs_noneq", "periodic_nums_noneq", "linus_pauling_nums_noneq", "entry", "version", "object_type", "reference", "density", "volume"]
},
"physical_property": {
"type": "object",
"description": "Physical properties data type",
"additionalProperties": false,
"properties": {
"sample": {
"description": "Citrine's MIF root container, according to https://github.com/CitrineInformatics/mif-documentation",
"type": "object",
"additionalProperties": false,
"properties": {
"material": {
"description": "MIF's material container",
"type": "object",
"additionalProperties": false,
"properties": {
"chemical_formula": {
"description": "Chemical formula (denoted as chemicalFormula in Citrine's MIF); may contain impurity element(s), denoted by fractional content or *x*; can be extended with the phase label, e.g. *rt*",
"type": "string"
},
"chemical_elements": {
"description": "Valid chemical elements",
"type": "array",
"minItems": 1,
"items": {
"type": "string",
"enum": ["H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"]
}
},
"condition": {
"description": "MIF's information about the inherent conditions of the system as a whole (currently contains only a space group number)",
"type": "array",
"minItems": 1,
"items": {
"type": "object",
"properties": {
"scalar": {
"type": "array",
"minItems": 1,
"items": {
"type": "object",
"properties": {"value": {"type": "number"}},
"required": ["value"]
}
},
"name": {"type": "string"}
},
"required": ["name", "scalar"]
}
},
"phase": {
"description": "Unique material phase (according to the LPF distinct phases concept), can be none",
"type": ["string", "null"]
},
"phase_id": {
"description": "Unique material phase identifier (according to the LPF distinct phases concept), can be none",
"type": ["number", "null"]
},
"entry": {
"description": "Internal LPF and MPDS identifier",
"type": "string"
},
"object_repr": {
"description": "Legacy information",
"type": "string"
}
},
"required": ["chemical_formula", "chemical_elements", "condition", "phase", "phase_id", "entry"]
},
"measurement": {
"description": "MIF's measurement container",
"type": "array",
"minItems": 1,
"items": {
"type": "object",
"additionalProperties": false,
"properties": {
"data_type": {
"description": "MIF's dataType, controlled either by the *dtype* request parameter or by a suitable *classes* keyword",
"type": "string",
"enum": ["peer_reviewed", "machine_learning", "ab_initio"]
},
"property": {
"description": "MIF's name, value, and units of the measured property, augmented with the LPF domain-category hierarchy",
"type": "object",
"properties": {
"units": {"type": "string"},
"scalar": {
"description": "Note that the value is represented by string if out of 2^32 bounds",
"type": ["string", "number"]
},
"matrix": {},
"name": {"type": "string"},
"category": {"type": "string"},
"domain": {"type": "string"}
},
"required": ["units", "name", "category", "domain"]
},
"condition": {
"description": "MIF's details of the external conditions (if available) applied during a measurement",
"type": "array",
"minItems": 1,
"items": {
"type": "object",
"properties": {
"units": {"type": "string"},
"scalar": {"type": "number"},
"range": {},
"name": {"type": "string"},
"refers_to": {
"type": "string",
"description": "Context of the particular atom type or symmetry point"
}
}
}
}
},
"required": ["data_type", "property"]
}
},
"reference": {
"description": "Persistent URLs of data",
"type": "object",
"additionalProperties": false,
"properties": {
"entry": {
"description": "Persistent URL of the entry",
"type": "string"
},
"phase": {
"description": "Persistent URL of the distinct phase",
"type": "string"
}
},
"required": ["entry"]
}
},
"required": ["material", "measurement", "reference"]
},
"version": {
"description": "MPDS API version, w.r.t. this data type",
"type": "string",
"enum": ["1.0.6"]
},
"object_type": {
"description": "MPDS data type",
"type": "string",
"enum": ["P"]
}
},
"required": ["sample", "version", "object_type"]
},
"phase_diagram": {
"type": "object",
"description": "Phase diagrams data type",
"additionalProperties": false,
"properties": {
"naxes": {
"description": "Number of axes",
"type": "number",
"minimum": 2,
"maximum": 3
},
"arity": {
"description": "Elements count for the whole phase diagram",
"type": "number",
"minimum": 2,
"maximum": 8
},
"diatype": {
"description": "Phase diagram type (mostly actual for the *arity* > 2, i.e. ternaries, quaternaries etc.)",
"type": "string",
"enum": ["binary", "subsolidus relations", "liquidus projection", "solvus projection", "solidus projection", "vertical section", "isothermal section"]
},
"chemical_elements": {
"description": "Valid chemical elements of the phase diagram",
"type": "array",
"minItems": 2,
"maxItems": 8,
"items": {
"type": "string",
"enum": ["H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"]
}
},
"title_a": {
"description": "Triangular plot only: the first component (left triangle corner)",
"type": "string"
},
"range_a": {
"description": "Triangular plot only: the first component range",
"type": ["array", "null"],
"minItems": 2,
"maxItems": 2
},
"title_b": {
"description": "Triangular plot only: the second component (upper triangle corner)",
"type": "string"
},
"range_b": {
"description": "Triangular plot only: the second component range",
"type": ["array", "null"],
"minItems": 2,
"maxItems": 2
},
"title_c": {
"description": "Triangular plot only: the third component (right triangle corner)",
"type": "string"
},
"range_c": {
"description": "Triangular plot only: the third component range",
"type": ["array", "null"],
"minItems": 2,
"maxItems": 2
},
"comp_a": {
"description": "Triangular plot only: left triangle corner composition as element_A -> content_A, element_B -> content_B etc.",
"type": "object"
},
"comp_b": {
"description": "Triangular plot only: upper triangle corner composition as element_A -> content_A, element_B -> content_B etc.",
"type": "object"
},
"comp_c": {
"description": "Triangular plot only: right triangle corner composition as element_A -> content_A, element_B -> content_B etc.",
"type": "object"
},
"comp_range": {
"description": "Rectangular plot only: composition (X-axis) range",
"type": "array",
"minItems": 2,
"maxItems": 2
},
"comp_start": {
"description": "Rectangular plot only: left edge composition as element_A -> content_A, element_B -> content_B etc.",
"type": "object"
},
"comp_end": {
"description": "Rectangular plot only: right edge composition as element_A -> content_A, element_B -> content_B etc.",
"type": "object"
},
"temp": {
"description": "Rectangular plot: temperature range (Y-axis); triangular plot: isotherm value(s) or none for *projection* *diatypes*; always in Celsius;",
"type": "array",
"minItems": 0,
"maxItems": 2
},
"labels": {
"description": "Labels, as extracted from the phase diagram vector image; can be referred by *reflabel* attribute of *shapes*; contain title and coordinates",
"type": "array",
"minItems": 0,
"items": {"type": "array"}
},
"shapes": {
"description": "Phase areas data, as extracted from the phase diagram vector image",
"type": "array",
"minItems": 1,
"items": {
"type": "object",
"additionalProperties": false,
"properties": {
"kind": {
"description": "Shape kind: *phase* and *compound* is semantically meaningful (has several attributes), whereas *drawing* is used for visualization only (has only *svgpath* attribute)",
"type": "string",
"enum": ["phase", "compound", "drawing"]
},
"svgpath": {
"description": "Phase areas represented as SVG *moveto*, *lineto*, and *closepath* commands (no curves), see http://www.w3.org/TR/SVG/paths.html",
"type": "string"
},
"nphases": {
"description": "Coexisting phases count",
"type": "number",
"minimum": 1,
"maximum": 5
},
"label": {
"description": "Label, as extracted from the phase diagram vector image; can be none",
"type": ["string", "null"]
},
"reflabel": {
"description": "A reference to *labels* item, which should be used for visualization only; can be none",
"type": ["number", "null"]
},
"phase": {
"description": "Unique material phase (according to the LPF distinct phases concept), can be none",
"type": ["string", "null"]
},
"phase_id": {
"description": "Unique material phase identifier (according to the LPF distinct phases concept); only relevant for *nphases* = 1; can be none;",
"type": ["number", "null"]
},
"is_solid": {
"description": "Label for a state of aggregation, showing an absense of liquid or gas phases",
"type": "boolean"
},
"chemical_elements": {
"description": "Valid chemical elements of the *phase* or *compound*; only relevant for *nphases* = 1",
"type": "array",
"minItems": 0,
"maxItems": 8,
"items": {
"type": "string",
"enum": ["H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"]
}
}
},
"required": ["kind", "svgpath"]
}
},
"entry": {
"description": "Internal LPF and MPDS identifier",
"type": "string"
},
"version": {
"description": "MPDS API version, w.r.t. this data type",
"type": "string",
"enum": ["1.0.6"]
},
"object_repr": {
"description": "Legacy information",
"type": "string"
},
"object_type": {
"description": "MPDS data type",
"type": "string",
"enum": ["C"]
},
"reference": {
"description": "Persistent URLs of data",
"type": "object",
"additionalProperties": false,
"properties": {
"entry": {
"description": "Persistent URL of the entry",
"type": "string"
}
},
"required": ["entry"]
}
},
"required": ["naxes", "arity", "diatype", "chemical_elements", "temp", "labels", "shapes", "entry", "version", "object_type", "reference"]
}
},
"type": "array",
"items": {
"oneOf": [
{"$ref": "#/definitions/input_query"},
{"$ref": "#/definitions/crystal_structure"},
{"$ref": "#/definitions/physical_property"},
{"$ref": "#/definitions/phase_diagram"}
]
}
}